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Publications 2017

 

1. M. Casapu, A. Fischer, A.M. Gänzler, R. Popescu, M. Crone, D. Gerthsen, M. Türk, J.-D. Grunwaldt, "Origin of the Normal and Inverse Hysteresis Behavior during CO Oxidation over Pt/Al2O3", ACS Catal. 7, 343 (2017)

2. D. Miao, G. Cavusoglu, H. Lichtenberg, J. Yua, H. Xua, J.-D. Grunwaldt, A. Goldbach, "Water-gas shift reaction over platinum/strontium apatite catalysts", Appl. Catal. B 202, 587-596 (2017).

 3. D.E. Doronkin, H. Lichtenberg, J.-D. Grunwaldt, "Cell Designs for In Situ and Operando Studies", in: "XAFS Techniques for Catalysts, Nanomaterials, and Surfaces? (editors: Y. Iwasawa, K. Asakura, and M. Tada), Springer International Publishing Switzerland, p. 75-89 (2017).

4. H.W.P. Carvalho, D. Degler, N. Barsan and J.-D. Grunwaldt, "Sensors", in: "XAFS Techniques for Catalysts, Nanomaterials, and Surfaces" (editors: Y. Iwasawa, K. Asakura, and M. Tada), Springer International Publishing Switzerland, p. 383-396 (2017).

5. J.M. Christensen, D. Deiana, J.-D. Grunwaldt, A.D. Jensen, “Effect of NO2 and water on the catalytic oxidation of soot”, Appl. Catal. B 205, 182 (2017).

6. J. Reinhardt, R. Hoppe, G. Hofmann, C.D. Damsgaard, J. Patommel, C. Baumbach, S. Baier, A. Rochet, J.-D. Grunwaldt, G. Falkenberg, C.G. Schroer, "Beamstop-based low-background ptychography to image weakly scattering objects”, Ultramicroscopy 173, 52 (2017).

7.  Kai Kalz, Ralph Kraehnert, Muslim Dvoyashkin, Roland Dittmeyer, Roger Gläser, Ulrike Krewer, Karsten Reuter, Jan-Dierk Grunwaldt, “Future Challenges in Heterogeneous Catalysis: Understanding Catalysts under Dynamic Reaction Conditions”, ChemCatChem 9, 17-29 (2017).

8. Elen Ogel, Sabrina A. Müller, André Sackmann, Fabian Gyger, Pascal Bockstaller, Eugen Brose, Maria Casapu, Ludger Schöttner, D. Gerthsen, Claus Feldmann, Jan-Dierk Grunwaldt, "Comparison of Catalytic Performance and CO-Sensing Behavior of Pd-SnO2 Core@Shell Nanocomposites", ChemCatChem 9, 407-413 (2017).

9. B. Torkashvand, A. Gremminger, S. Valchera, M. Casapu, J.-D. Grunwaldt, O. Deutschmann, “ The impact of pre-turbine catalyst placement on methane oxidation in lean-burn gas engines: An experimental and numerical study”, SAE-paper, in press.

10. K. Hengst,  D. A. J. M.Ligthart, D. Doronkin, K. Walter, W. Kleist, E. Hensen, J.-D. Grunwaldt, "Continuous Synthesis of γ–Valerolactone in a Trickle-bed Reactor over Supported Nickel Catalysts" Ind. Eng. Chem. Res. 56, 2680 (2017).

11. S. Baier, C.D. Damsgaard, M. Klumpp, J. Reinhardt, T. Sheppard, Z. Balogh, T. Kasama, F. Benzi, J.B. Wagner, W. Schwieger, C.G. Schroer, J.-D. Grunwaldt, "Stability of a bifunctional Cu-based core@zeolite shell catalyst for DME synthesis under redox conditions studied by ETEM and in situ X-ray ptychography", Microscop. Microanal. 23, 501-512 (2017).

12. T.L. Sheppard, S.W.T. Price, F. Benzi, S. Baier, M. Klumpp, R. Dittmeyer, W. Schwieger, J.-D. Grunwaldt, “In situ Multimodal 3D Chemical Imaging of a Hierarchically-Structured Core@Shell Catalyst”, J. Am. Chem. Soc. 139, 7855 (2017).

13. A. Gremminger, P. Lott, M. Merts, M. Casapu, J. -D. Grunwaldt, O. Deutschmann, "Sulfur poisoning and regeneration of bimetallic Pd-Pt methane oxidation catalysts” App. Catal. 218, 833-843 (2017).

14. Ferri, A.Gaur, J.-D. Grunwaldt, “Genesis of a Co-salicylaldimine complex on silica followed in situ by FTIR and XAS" in press DOI: 10.1002/cphc.201700550

15. D. Chakraborty, C.D. Damsgarrd, H. Silva, C. Conradsen, JL Olsen, H.W.P. Carvalho., B. Mutz, T. Bligaard, M.J. Hoffmann, J.-D. Grunwaldt, F. Studt, I. Chorkendorff, "Bottom-Up Design of a Copper-Ruthenium Nanoparticulate Calatyst for Low-Temperatur Ammonia Oxidation" Angew Chem Int Ed Engl. 56(30):8711-8715 (2017).

16. F. Benzi, T.L. Sheppard, D.E. Doronkin, D.M. Meira, A.M. Gänzler, S. Baier and J.-D. Grunwaldt, "Deep hydrtotreatment of pyrolysis oil and platform molecules over nickel and ruthenium catalysts, Biomass and Bioenergy"

17. F. Benzi, T. L. Sheppard, D. E. Doronkin, D. M. Meira, A. M. Gänzler, S. Baier and J.-D. Grunwaldt, “Transient structural and catalytic behaviour of Pt-particles probed by operando spectroscopy during a realistic driving cycle” Catal. Sci. Technol., 2017, DOI: 10.1039/C7CY00926G

18. P. Sprenger, W. Kleist, J.-D. Grunwaldt, "Recent advances in selective propylene oxidation over bismuth molybdate based catalysts: Novel synthetic, spectroscopic and theoretical approaches" ACS Catal., 2017, 7, pp 5628–5642

19. M. L. Traulsen,, H. W. P. de Carvalho, P. Zielke, J.-D. Grunwaldt “The effect of electrical polarisation on electronic structure in LSM electrodes: An operando XAS, RIXS and XES study”, J. Electrochem. Soc. 2017 volume 164, 10, F3064-F3072

20. C. Boscagli, C. Yang, A. Welle, W. Wang, S. Behrens, K. Raffelt, J.-D. Grunwaldt, “Effect of pyrolysis oil components on the activity and selectivity of nickel-based catalysts during hydrotreatment” Appl. Catal. A, 544, 161–172 (2017)

21. D. Chakraborty, C. D. Damsgaard, H. Silva, C. Conradsen, J. L. Olsen, H. W. P. Carvalho, B. Mutz, T. Bligaard, M.J. Hoffmann, J.-D. Grunwaldt, F. Studt, I. Chorkendorff, „Bottom-Up Design of a Copper-Ruthenium Nanoparticulate Catalyst for Low-Temperature Ammonia Oxidation“, Angew. Chem. Int. Ed. 129, 8837–8841 (2017)

22. B. Mutz, M. Belimov, W. Wang, P. Sprenger, M.-A. Serrer, D. Wang, P. Pfeifer, W. Kleist, J.-D. Grunwaldt, “Potential of an Alumina-Supported Ni3Fe Catalyst in the Methanation of CO2: Impact of Alloy Formation on Activity and Stability”, ACS Catal., in press (doi: 10.1021/acscatal.7b01896)

23. A.M. Gänzler, M. Casapu, P. Vernoux, S. Loridant, F.J. Cadete Santos Aires, T. Epicier, B. Betz, R. Hoyer, J.-D. Grunwaldt, “Tuning the structure of Pt particles on ceria in situ for enhancing the catalytic performance of exhaust gas catalysts”, Angew. Chem., accepted for publication, doi: 10.1002/anie.201707842.

24. B. Mutz, A.M. Gänzler, M. Nachtegaal, O. Müller, R. Frahm, W. Kleist, J.-D. Grunwaldt, “Surface Oxidation of Supported Ni Particles and its Impact on the Catalytic Performance during Dynamically Operated Methanation of CO2”, Catalysts, accepted for publication.

25. G. Tofighi, H. Lichtenberg, J. Pesek, T.L. Sheppard, W. Wang, L. Schöttner, G. Rinke, R. Dittmeyer, J.-D. Grunwaldt, “Continuous Microfluidic Synthesis of Colloidal Ultrasmall Gold Nanoparticles: In situ Investigation of the Early Reaction Stages and Application for Catalysis”, React. Chem. Eng., accepted for publication, 2017, DOI: 10.1039/C7RE00114B

26. C. Rumancev, A. R. von Gundlach, S. Baier, A. Wittstock, J. Shi, F. Benzi, T. Senkbeil, S. Stuhr, V. M. Garamus, J.-D. Grunwaldt, A. Rosenhahn, Morphological analysis of cerium oxide stabilized nanoporous gold catalysts by soft X-ray ASAXS, RSC Adv, 7, 45344 (2017) doi: 10.139/c7ra05396g

 

 

Publications 2016

1. P.M. Mortensen, H.W.P. Carvalho, J.-D. Grunwaldt, P.A. Jensen, A.D. Jensen, “Influence of Nickel Particle Size on the Hydrodeoxygenation of Phenol over Ni/SiO2”, Catal. Today, 259, 277 (2016).

2. M. Gentzen, W. Habicht, D. E. Doronkin, J.-D. Grunwaldt, J. Sauer, S. Behrens, Bifunctional hybrid catalysts derived from Cu/Zn-based nanoparticles for single-step dimethyl ether synthesis, Catal. Sci. Technol., 6, 1054 (2016).

3. D.E. Doronkin, A.B. Kuriganovac, I.N. Leontyev, S. Baier, H. Lichtenberg, N.V. Smirnova, J.-D. Grunwaldt, “Electrochemically synthesized Pt/Al2O3 oxidation catalysts”, Catal. Lett., 146, 452 (2016).

4. S. Baier, C. D. Damsgaard, M. Scholz, F. Benzi, A. Rochet, R. Hoppe, T. Scherer, J. Shi, A. Wittstock, B. Weinhausen , J. B. Wagner, C. G. Schroer and J.-D. Grunwaldt, "In situ ptychography of heterogeneous catalysts using hard X-rays: high resolution imaging at ambient pressure and elevated temperature", Microscop. Microanal. 22, 178 (2016).

5. Y. Zhou, Z. Zhao, F. Wang, K. Cao, D.E. Doronkin, F. Dong, J.-D. Grunwaldt, "Facile synthesis of surface N-doped Bi2O2CO3: Origin of visible lightphotocatalytic activity and in situ DRIFTS studies" J. Hazardous Mat. 307 163–172 (2016)

6. J.M. Christensen, J.-D. Grunwaldt, A.D. Jensen, “Importance of the oxygen bond strength for catalytic activity in soot oxidation”, Appl. Catal. B, 188, 235 (2016).

7. A. Zimina, I. Vilfan, D. Vrbanic, V. Nicolosi, D. Batchelor, R. Steininger, D. Mihailovic, "Electronic structure of purified Mo6S(9-x)Ix nanowires studied by X-ray spectroscopy", Journal of Electron Spectroscopy and Related Phenomena 207, 29-33. doi:10.1016/j.elspec.2015.12.004 (2016).

8. H.- S. Grunwaldt, A. Zimina, J. Göttlicher, R. Steinniger, J.- D. Grunwaldt, "Study of the relation between Mg content and dissolution kinetics of natural lime stone using µXRF, µXRD and µXAS", J. Phys. Conf. Ser. 712, 012144 (2016).

9. A. M. Gänzler, H. Lichtenberg, A. I. Frenke, M. Casapu, A. Boubnov, D. Wang, J.-D. Grunwaldt, "Using combined XAS/DRIFTS to study CO/NO Oxidation over Pt/Al2O3 catalysts", J. Phys. Conf. Ser. 712, 012045 (2016).

10. G. Cavusoglu, F. Dallmann, H. Lichtenberg, A. Goldbach, R. Dittmeyer, J.-D. Grunwaldt, "In situ characterization of catalysts and membranes in a microchannel under high-temperature water gas shift reaction conditions", J. Phys. Conf. Ser. 712, 012054 (2016).

11. G. Cavusoglu, H. Lichtenberg, A. Gaur, A. Goldbach, J.-D. Grunwaldt, "Flame made ceria supported noble metal catalysts for efficient H2 production via the water gas shift reaction",  J. Phys. Conf. Ser. 712, 012065 (2016).

12. T. Günter, D. E. Doronkin, H. W. P. Carvalho, M. Casapu, J.-D. Grunwaldt, "HERFD-XANES and XES as complementary operando tools for monitoring the structure of Cu-based zeolite catalysts during NOx-removal by ammonia SCR",  J. Phys. Conf. Ser. 712, 012071 (2016).

13. D. E. Doronkin, S. Baier, T. Sheppard, F. Benzi, J.-D. Grunwaldt, "Lithographically fabricated silicon microreactor for operando QEXAFS studies in exhaust gas catalysis during simulation of a standard driving cycle", J. Phys. Conf. Ser. 712, 012030 (2016).

14. G. Hofmann, G. Tofighi, G. Rinke, S. Baier, A. Ewinger, A. Urban, A. Wenka, S. Heideker, A. Jahn, R. Dittmeyer, J.-D. Grunwaldt, "A Microfluidic Device for the Investigation of Rapid Gold Nanoparticle Formation in Continuous Turbulent Flow", J. Phys. Conf. Ser. 712, 012072 (2016).

15. B. Mutz, H. W. P. Carvalho, W. Kleist, J.-D. Grunwaldt, "Dynamic transformation of small Ni particles during methanation of COunder fluctuating reaction conditions monitored by operando X-ray absorption spectroscopy", J. Phys. Conf. Ser. 712, 012050 (2016).

16. C. Schöttle, D.E. Doronkin, R. Popescu, D. Gerthsen, J.-D. Grunwaldt and C. Feldmann, “Ti0 Nanoparticles via Lithium-Naphthalenide-driven Reduction”, Chem. Comm., 52, 6316 (2016).

17. D. Degler, H.W.P. Carvalho, K. Kvashnina, J.-D. Grunwaldt, U. Weimar and N. Barsan, “Structure and chemistry of surface-doped Pt:SnO2 gas sensing materials”, RSC Adv. 6, 28149 (2016).

18. A. Zimina, K. Dardenne, M.A. Denecke, J.-D. Grunwaldt, E. Huttel, H. Lichtenberg, S. Mangold, T. Pruessmann, J. Rothe, R. Steininger and T.Vitova, "The CAT-ACT Beamline at ANKA: A new high energy X-ray spectroscopy facility for CATalysis and ACTinide research", J. Phys. Conf. Ser. 712, 012019 (2016).

19. J.-D. Grunwaldt, M. Hagelstein, J. Rothe, “The 16th International Conference on X-ray Absorption Fine Structure (XAFS16)”, J. Phys. Conf. Ser. 712 011001 (2016).

20. T. Günter, D.E. Doronkin, A. Boubnov, H.W.P. Carvalho, M. Casapu and J.-D. Grunwaldt, “The SCR of NOx with NH3 examined by novel X-ray emission and X-ray absorption methods”, Topics Catal. 59.866 (2016).

21. P.M. Mortensen, D. Gardini, C.D. Damsgaard, J.-D. Grunwaldt, P.A. Jensen, J.B. Wagner, A.D. Jensen, “Deactivation of Ni-MoS2 by bio-oil impurities during hydrodeoxygenation of phenol and octanol”, Appl. Catal. A 523, 159 (2016).

22. S. Baier, A. Wittstock, C.D. Damsgaard, A. Diaz, J. Reinhardt, F. Benzi, J. Shi, T. Scherer, D. Wang, C. Kübel, C.G. Schroer, J.-D. Grunwaldt, "Influence of gas atmospheres and ceria on the stability of nanoporous gold studied by environmental electron microscopy and in situ ptychography", RSC Adv., 6, 83031 – 83043 (2016).

23. T. Günter, J. Pesek, K. Schäfer, A.B. Abai, M. Casapu, O. Deutschmann, J.-D. Grunwaldt, "Cu-SSZ-13 as pre-turbine NOx-removal-catalyst: Impact of pressure and catalyst poisons, Appl. Catal. B, 198, 548-557 (2016)

24. Y. Zhou, D. Doronkin, M. Chen, S. Wie,  J.-D. Grunwaldt, "Interplay of Pt and Crystal Facets of TiO2: CO Oxidation Activity and Operando XAS/DRIFTS Studies" ACS Catal., 6, 7799-7809 (2016).

25. A. Boubnov, A. Roppertz, M.D. Kundrat, S. Mangold, B. Reznik, C.R. Jacob, S. Kureti, J.-D. Grunwaldt, "Towards advanced structural analysis of iron oxide clusters on the surface of γ-Al2O3 using EXAFS", Appl. Surf. Sci., 286, 234 (2016)

26. D. Degler, S. Rank, S. Müller, H.W.P. Carvalho, J.-D. Grunwaldt, U. Weimar, N. Barsan, "Gold-loaded Tin Dioxide Gas Sensing Materials: Mechanistic Insights and the Role of Gold Dispersion" ACS Sensors 1, 1322 (2016)

 

Publications 2015

1. B. Mutz, H.W.P. Carvalho, S. Mangold, W. Kleist, J.-D. Grunwaldt, "Methanation of CO2: Structural response of a Ni-based catalyst under fluctuating reaction conditions unraveled by operando spectroscopy", J. Catal. 327, 48 (2015).

2. K. Schuh, W. Kleist, M. Hoj; A.D. Jensen, P. Beato, G.R. Patzke, "Systematic study on the influence of the morphology of a-MoO3 in the selective oxidation of propylene", J. Sol. State 228, 42 (2015) .

3. T. Günter, H.W.P. Carvalho, D.E. Doronkin, T. Sheppard, P. Glatzel, A.J. Atkins, J. Rudolph, C.R. Jacob, M. Casapu, J.-D. Grunwaldt, “Structural snapshots of the SCR reaction mechanism on Cu-SSZ-13”, Chem. Commun 51, 9227 (2015).

4. R. Dittmeyer, J.-D. Grunwaldt, A. Pashkova, "A review of catalyst performance and novel reaction engineering concepts in direct synthesis of hydrogen peroxide", Catal. Today 248, 149 (2015).

5. M. Hellinger, H.W.P. Carvalho, S. Baier, D. Wang, W. Kleist, J.-D. Grunwaldt, "Catalytic hydrodeoxygenation of guaiacol over platinum supported on metal oxides and zeolites", Appl. Catal. A 490, 181 (2015).

6. G. Hofmann, A. Rochet, E. Ogel, M. Casapu, S. Ritter, M. Ogurreck, J.-D. Grunwaldt, "Aging of a Pt/Al2O3 exhaust gas catalyst monitored by quasi in situ X-ray micro computed tomography", RSC Adv. 5, 6893 (2015).

7. A.M. Gänzler, M. Casapu, A. Boubnov, O. Müller, S. Conrad, H. Lichtenberg, R. Frahm, J.-D. Grunwaldt, “Operando spatially and time-resolved X-ray absorption spectroscopy and infrared thermography during Oscillatory CO Oxidation”, J. Catal. 328, 216 (2015).

8. G. Cavusoglu, D. Miao, H. Lichtenberg, H.W.P. Carvalho, H. Xu, A. Goldbach, J.-D. Grunwaldt, "Structure and Activity of Flame made Ceria supported Rh and Pt Water Gas Shift Catalysts”, Appl. Catal. A, 504, 381 (2015).

9. K.M. Walter, M. Schubert, W. Kleist, J.-D. Grunwaldt, "Effect of the Addition of Ethanol to Synthesis Gas on the Production of Higher Alcohols over Cs and Ru Modified Cu/ZnO Catalysts”, Ind. Eng. Chem. Res. 54, 1452 (2015).

10. W.Y. Teoh, D.E. Doronkin, G.K. Beh, J. Dreyer, J.-D. Grunwaldt, "Methanation of carbon monoxide over promoted flame-synthesized cobalt clusters stabilized in zirconia matrix", J. Catal. 326, 182 (2015).

11. P.M Mortensen, H.W.P Carvalho, J.-D. Grunwaldt, P.A. Jensen, A.D. Jensen, “Activity and Stability of Mo2C/ZrO2 as Catalyst for Hydrodeoxygenation of Mixtures of Phenol and 1-Octanol”, J. Catal. 328, 208 (2015).

12. A. Boubnov, H. Lichtenberg, S. Mangold, J.-D. Grunwaldt, “Identification of iron oxidation state and coordination geometry in iron oxide- and zeolite-based catalysts using pre-edge XAS analysis”, J. Synchrotron Rad. 22, 410-426 (2015).

13. K. Hengst, M. Schubert, W. Kleist, J.-D. Grunwaldt, "Hydrodeoxygenation of Lignocellulose-Derived Platform Molecules", in: Catalytic Hydrogenation for Biomass Valorization (R. Rinaldi, ed.), p. 125, 2015, DOI:10.1039/9781782620099-00125

14. M. Tepluchin, D.K. Pham, M. Casapu, L. Mädler, S. Kureti, J.-D. Grunwaldt, "Influence of single- and double-flame spray pyrolysis on the structure of MnOx/?-Al2O3 and FeOx/?-Al2O3 catalysts and their behaviour in CO removal under lean exhaust gas conditions", Catal. Sci. Technol. 5, 455 (2015).

15. D. Degler, H.W.P. Carvalho, U. Weimar, N. Barsan, D. Pham, L. Mädler, J.-D. Grunwaldt, "Structure-function relationships of conventionally and flame made Pd-doped sensors studied by X-ray absorption spectroscopy and DC-resistance”, Sensor Act. B 219, 315 (2015).

16. K. Hengst, M. Schubert, H.W.P. Carvalho, C. Lu, W. Kleist, J.-D. Grunwaldt, “Synthesis of ?-Valerolactone by Hydrogenation of Levulinic Acid over Supported Nickel Catalysts”, Appl. Catal. A 502, 18 (2015).

17. S. Baier, A. Rochet, G. Hofmann, M. Kraut, J.-D. Grunwaldt, Lithographically fabricated silicon microreactor for in situ characterization of heterogeneous catalysts - enabling correlative characterization techniques”, Rev. Sci. Instr. 86, 065101 (2015).

18. M. Hellinger, S. Baier, P.M. Mortensen, W. Kleist, A.D. Jensen, J.-D. Grunwaldt, “Continuous catalytic hydrodeoxygenation of guaiacol over Pt/SiO2 and Pt/H-MFI-90”, Catalysts 5, 1152 (2015).

19. E.M. Fiordaliso, I. Sharafutdinov, H.W.P. Carvalho, J.-D. Grunwaldt, T.W. Hansen, I. Chorkendorff, J.B. Wagner, C.D. Damsgaard, Intermetallic GaPd2/SiO2 nanoparticles for low pressure CO2 hydrogenation to methanol: catalytic performance and in situ characterization, ACS Catal. 5, 5827 (2015).

20. M. Tepluchin, S. Kureti, M. Casapu, E. Ogel, S. Mangold, J.-D. Grunwaldt, “Study on the hydrothermal and SO2 stability of Al2O3-supported manganese and iron oxide catalysts for lean CO oxidation”, Catal. Today, 258, 498 (2015).

21. K. Schuh, W. Kleist, M. Høj , V. Trouillet , P. Beato, A.D. Jensen, J.-D. Grunwaldt, “Bismuth molybdate catalysts prepared by mild hydrothermal synthesis: Influence of pH on the selective oxidation of propylene”, Catalysts 5, 1554 (2015).

22. E. Japke, M. Casapu, V. Trouillet, O. Deutschmann, J.-D. Grunwaldt, "Soot and hydrocarbon oxidation over vanadia-based SCR catalysts”, Catal. Today, 258, 461 (2015).

23. C. Boscagli, K. Raffelt, T.A. Zevaco, W. Olbrich, T.N. Otto, J. Sauer, J.-D. Grunwaldt, Mild hydrotreatment of the light fraction of fast-pyrolysis oil produced from straw over nickel-based catalysts, Biomass and Bioenergy, 83, 525 (2015).

24. A.T. Gremminger, H.W.P. Carvalho, R. Popescu, J.-D. Grunwaldt, O. Deutschmann, "Influence of gas composition on activity and durability of bimetallic Pd-Pt/Al2O3 catalysts for total oxidation of methane”, Catal. Today 258, 470 (2015).

25. M. Hellinger, H.W.P. Carvalho, S. Baier, L. Gharnati, J.-D. Grunwaldt, Solvent influence in the hydrodeoxygenation of guaiacol over Pt/SiO2 and Pt/H-MFI 90 catalyst, Chem.Ing.Techn., 87, 1771 (2015).

26. M. A. Gotthardt, S. Grosjean, T. S. Brunner, J. Kotzel, A. M. Gänzler, S. Wolf, S. Bräse, W. Kleist, "Synthesis and post-synthetic modification of amine-, alkyne-, azide- and nitro-functionalized metal-organic frameworks based on DUT-5", Dalton Trans. 44 16802 (2015).

27. M. A. Gotthardt, R. Schoch, T. S. Brunner, M. Bauer, W. Kleist, "Design of Highly Porous Single-Site Catalysts through Two-Step Postsynthetic Modification of Mixed-Linker MIL-53(Al)", ChemPlusChem, 80 188 (2015).

28. M. A. Gotthardt, R. Schoch, S. Wolf, M. Bauer, W. Kleist, "Synthesis and characterization of bimetallic metal-organic framework Cu-Ru-BTC with HKUST-1 structure", Dalton Trans., 44, 2052 (2015).

29. F. G. E. Nogueira, P. G. M. Assaf, H. W. P. Carvalho, E. M. Assaf, "Catalytic steam reforming of acetic acid as a model compound of bio-oil", Appl. Catal. B, 162, 611 (2015).
 

Publications 2014

  • Intermetallic compounds of Ni and Ga as catalysts for the synthesis of methanol

    I. Sharafutdinov, C.F. Elkjær, H.W.P. Carvalho, D. Gardini, G.L. Chiarello, Ch.D. Damsgaard, J.B. Wagner, J.-D. Grunwaldt, S. Dahl, I. Chorkendorff

    J. Catal. 322, 77 (2014).

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  • Confined-Space Alloying of Nanoparticles for the Synthesis of Efficient PtNi Fuel-Cell Catalysts

    C. Baldizzone, S. Mezzavilla, H.W.P. Carvalho, J.C. Meier, A.K. Schuppert, M. Heggen, C. Galeano, J.-D. Grunwaldt, F. Schüth, K.J.J. Mayrhofer

    Angew. Chem. Int. Ed. 53,14250 (2014).

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  • Intermetallic compounds of Ni and Ga as catalysts for the synthesis of methanol

    I. Sharafutdinov, C.F. Elkjær, H.W.P. Carvalho, D. Gardini, G.L. Chiarello, Ch.D. Damsgaard, J.B. Wagner, J.-D. Grunwaldt, S. Dahl, I. Chorkendorff

    J. Catal. 322, 77 (2014).

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  • One-step synthesis of bismuth molybdate catalysts via flame spray pyrolysis for the selective oxidation of propylene to acrolein

    K. Schuh, W. Kleist, M. Høj, Trouillet, A. D. Jensen, J.-D. Grunwaldt

    Chem. Comm. 15404 (2014). 

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  • Confined-Space Alloying of Nanoparticles for the Synthesis of Efficient PtNi Fuel-Cell Catalysts

    C. Baldizzone, S. Mezzavilla, H.W.P. Carvalho, J.C. Meier, A.K. Schuppert, M. Heggen, C. Galeano, J.-D. Grunwaldt, F. Schüth, K.J.J. Mayrhofer

    Angew. Chem. Int. Ed., DOI: 10.1002/anie.201406812.

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  • Ceria prepared by flame spray pyrolysis as an efficient catalyst for oxidation of diesel soot

    J.M. Christensen, D. Deiana, J.-D. Grunwaldt, A.D. Jensen

    Catalysis Letters 144, 1661 (2014).

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  • Selective catalytic reduction of NO over Fe-ZSM-5: Mechanistic insights by operando HERFD-XANES and valence-to-core XES spectroscopy

    A. Boubnov, H.W.P. Carvalho, D.E. Doronkin, T. Günter, E. Gallo, A.J. Atkins, C.R. Jacob, J.-D. Grunwaldt

    J. Am. Chem. Soc. 136, 13006 (2014).

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  • Selective oxidation of propylene to acrolein ba hydrothermally synthesized bismuth molybdates

    K. Schuh, W. Kleist, M. Høj, V. Trouillet, P. Beato, A.D. Jensen, G.R. Patzke, J.-D. Grunwaldt

    Appl. Catal. A, 482, 145 (2014). 

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  • Stability and Resistance of Nickel Catalysts for Hydrodeoxygenation: Carbon deposition and effects of Sulfur, Potassium, and Chlorine in the Feed

    P.M. Mortensen, D. Gardini, H.W.P. de Carvalho,C.D. Damsgaard, J.-D. Grunwaldt, P.A.Jensen, J.B. Wagner, A.D. Jensen

    Catal. Sci. Technol., 4, 3672 (2014).

    uniLogo | Article HTML | Article PDF

  • One step flame-made fluorinated Pt/TiO2 photocatalysts for hydrogen production

    G.L. Chiarello, M. Vittoria Dozzi , M. Scavini, J.-D. Grunwaldt, E. Selli

    Applied Catalysis B: Environmental, 160-161, 144 (2014).

    uniLogo | Article HTML | Article PDF

  • Operando Spatially and Time Resolved XAS Study on Zeolite Catalysts for Selective Catalytic Reduction of NOx by NH3

    D. Doronkin, M. Casapu, T. Günter, O. Müller, R. Frahm, J.-D. Grunwaldt

    J. Phys. Chem. C., 118. 10204-10212 (2014).

    uniLogo | Article HTML | Article PDF

  • Methane Steam Reforming over a Ni-YSZ Solid Oxide Fuel Cell Anode in Stack Configuration

    D. Mogensen, J.-D. Grunwaldt, P.V. Hendriksen, J.U. Nielsen, K. Dam-Johansen

    J. Chem., 710391 (2014).

    uniLogo | Article HTML | Article PDF

  • Fe- and Mn-based catalysts supported on y-Al2O3 for CO oxidation under O2 rich conditions

    M. Tepluchin, M. Casapu, A. Boubnov, H. Lichtenberg, D. Wang, S. Kureti, J.-D. Grunwaldt

    ChemCatChem 6, 1763 (2014).

    uniLogo  | Article HTML | Article PDF

  • Ageing Effects on Exhaust Gas Catalysts: Microscopic Changes Captured by X-Ray Tomography

    G. Hofmann, A. Rochet, S. Baier, M. Casapu, S. Ritter, F. Wilde, M. Ogurreck, F. Beckmann, J.-D. Grunwaldt

    J. Phys.: Conf. Ser. 499, 012017 (2014).

    uniLogo  | Article HTML | Article PDF

  • Influence of preparation method on supported Cu-Ni alloys and their catalytic properties in high pressure Co hydrogenation

    Q. Wu, W. L. Eriksen, L. D. L. Duchstein, J. M. Christensen, C. D. Damsgaard, B. Temel, J.- D. Grunwaldt, A. D. Jensen

    Catal. Sci. Technol., 4, 378 (2014).

    uniLogo  | Article HTML | Article PDF

  • Structure, activity and kinetics of supported molybdenum oxide and mixed molybdenum-vanadium oxide catalysts prepared by flame spray pyrolysis

    M. Høj, A.D. Jensen, T. Kessler, P. Beato, J.-D. Grunwaldt

    Appl. Catal. A 472, 29 (2014).

    uniLogo  | Article HTML | Article PDF

  • In situ observation of Cu-Ni alloy nanoparticle formation by X-ray diffraction, X-ray absorption spectroscopy, and transmission electron microscopy: Influence of Cu/Ni ratio

    Q. Wu, L.D.L. Duchstein, G.L. Chiarello, J.M. Christensen, C.D. Damsgaard, C.F. Elkjær, J.B. Wagner, B. Temel, J.-D. Grunwaldt, A.D. Jensen

    ChemCatChem 6, 301 (2014).

    uniLogo  | Article HTML | Article PDF

  • Pd@SnO2 and SnO2@Pd Core@Shell Nanocomposite Sensors

    F. Gyger, A. Sackmann, M. Hübner, P. Bockstaller, D. Gerthsen, H. Lichtenberg, J.-D. Grunwaldt, N. Barsan, U. Weimar, C. Feldmann

    Part. Part. Syst. Char. 31, 519 (2014).

    uniLogo  | Article HTML | Article PDF

  • Flame-made Cu/ZnO/Al2O3 catalyst for dimethyl ether production

    R. Ahmad, M. Hellinger, M. Buchholz, H. Sezen, L. Gharnati, C. Wöll, J. Sauer, M. Döring, J.-D. Grunwaldt, U. Arnold

    Catal. Commun. 43, 52 (2014).

    uniLogo  | Article HTML | Article PDF

  • High Output Catalyst Development in Heterogeneous Gas Phase Catalysis

      Wolfgang Kleist, Jan-Dierk Grunwaldt

          in: Modern Applicatios of High Throughput R&D in Heterogeneous Catalysis, 2014, 354-358,

          Alfred Hagemeyer and Anthony Volpe Jr (Ed).

          uniLogo  | Article HTML | Article PDF

    • Ti and Si doping as a way to increase low temperature activity of sulfated Ag/Al2O3 in H2-assisted NH3-SCR of NOx

      D.E. Doronkin, S. Fogel, P. Gabrielsson, J.-D. Grunwaldt, S. Dahl

      Appl. Catal. B, 148-149, 62 (2014).

      uniLogo  | Article HTML | Article PDF
    • Catalytic steam reforming of acetic acid as a model compound of bio-oil

      Nogueira, Francisco Guilherme E.; Assaf, Paulo G. M.; Carvalho, Hudson W. P.; Assaf, Elisabete M.

      Appl. Catal. B 160-161, 189 (2014)

      uniLogo  | Article HTML | Article PDF

     

    Publications 2013


     
    • Chemical Energy Storage

            J.M. Christensen, P.V. Hendriksen, J.-D. Grunwaldt, A.D. Jensen     

            in: DTU International Energy Report 2013, eds. H. Hvidtfeld Larsen and L. Sønderberg Petersen, November 2013,

            ISBN: 978-87-550-3968-1.

              uniLogo  | Article HTML | Article PDF

          

         

        • Experimental determination and modeling of the phase behaviour for the direct synthesis of dimethyl carbonate from methanol and carbon dioxide

              I. Tsivintzelis, N. E. Musko, A. Baiker, J.-D. Grunwaldt, G.M. Kontogeorgis

              The Journal of Supercritical Fluids, 84, 155 (2013).

              uniLogo  | Article HTML | Article PDF

         

         

        • Fluid phase equilibria during propylene carbonate synthesis from propylene oxide in carbon dioxide medium

              Loubna Gharnati, Nikolai E. Musko, Anker D. Jensen, Georgios M. Kontogeorgis, J.-D. Grunwaldt

              The Journal of Supercritical Fluids, 82, 106-115 (2013).

              uniLogo  | Article HTML | Article PDF

           

           

        • Screening of Catalysts for Hydrodeoxygenation of Phenol as a Model Compund for Bio-oil

              Peter N. Mortensen, J.-D. Grunwaldt, Peter A. Jensen, Anker D. Jensen

              ACS Catal., 3, 1774-1785 (2013).

              uniLogo  | Article HTML | Article PDF


         

        • Imaging catalysts at work: A hierarchical approach from the macro- to the meso- and nano-scale

              J.-D. Grunwaldt, J. B. Wagner, R. E. Dunin-Borkowski

              ChemCatChem, 5: 62-80 (2013).

              uniLogo  | Article HTML | Article PDF


         

        • Improving the sensitivity of QEXAFS using modulation excitation spectroscopy

              J. Stötzel, D. Lützenkirchen-Hecht, J.-D. Grunwaldt, R. Frahm

              J. Phys. Conf. Series, Special Issue of XAFS 15, 430, 012126 (2013).

              uniLogo  | Article HTML | Article PDF

         

         

        • Structure of alumina supported vanadia catalysts for oxidative dehydrogenation of propane prepared by flame spray pyrolysis

              M. Høj; A.D. Jensen, J.-D. Grunwaldt

              Appl. Catal. A, 451, 207 (2013).

              uniLogo  | Article HTML | Article PDF

         

         

        • The potential of operando XAFS for determining the role ans structure of noble metal additives in metal oxide based gas sensors

              J.-D. Grunwaldt, M. Hübner, D. Koziej, N. Barsan, U. Weimar

              J. Phys. Conf. Series, Special Issue of XAFS 15, 430, 012078 (2013).

              uniLogo  | Article HTML | Article PDF

         

          

        • Structure and reducibility of a Fe/Al2O3 catalyst for selective catalytic reduction studied by Fe K-edge XAFS spextroscopy

              A. Boubnov, H. Lichtenberg, S. Mangold, J.-D. Grunwaldt

               J. Phys. Conf. Series, Special Issue of XAFS 15, 430, 012054 (2013).

              uniLogo  | Article HTML | Article PDF

         

         

        • Potential and limitations of natural chabazite for selective catalytic reduction of NOx with NH3

              T. Guenter, M. Casapu, D. Doronkin, S. Mangold, V. Trouillet, T. Augenstein, J.-D. Grunwaldt

              Chem. Ing. Tech. 85, 632 (2013). (on-line; doi:10.1002/cite.201200182)

              uniLogo  | Article HTML | Article PDF

         

         

        • Oscillatory CO ocidation over Pt/Al2O3 catalysts studied by in situ XAS and DRIFTS

              A. Boubnov, A. Gänzler, S. Conrad, M. Casapu, J.-D. Grunwaldt

              Topics Catal., 56, 333 (2013).

              uniLogo  | Article HTML | Article PDF

         

         

        • Abgasnachbehandlung in mobilen Systemen: Stand der Technik, Herausforderungen und Perspektiven

              O. Deutschmann, J.-D. Grunwaldt

              Chem. Ing. Tech. 85, 595 (2013). (on-line; doi:10.1002/cite.201200188)

              uniLogo  | Article HTML | Article PDF

         

         

        • Spatially Resolved X-ray Absorption Spectroscopy

              C. G. Schroer, J.-D. Grunwaldt

              in: J. A. Rodriguez, P. J. Chupas, J. C. Hanson (Eds.) In-situ Characterization of Heterogeneous Catalysts,

              John Wiley & Sons, Inc, Hoboken, 49-73 (2013).

              uniLogo  | Article HTML | Article PDF

         

         

        • High-Resolution Chemical Imaging of Gold Nanoparicles Using Hard X-ray Ptychography

              R. Hoppe, H. Reinhardt, J. Patommel, G. Hofmann, J.-D. Grunwaldt, C. D. Damsgaard, G. Wellenreuther,

              G. Falkenberg, C. G. Schoer

              Appl. Phys. Lett. 102, 203104 (2013).

              uniLogo  | Article HTML | Article PDF

         

         

        • Supported molybdenum carbide for higher alcohol synthesis from syngas

              Q. Wu, J. M. Christensen, G. L. Chiarello, L. D. L. Duchstein, J. B. Wagner, B. Temel, J.-D. Grunwaldt, A. D. Jensen

              Catal. Today, on-line; doi: 10.1016/j.cattod.2013.03.002.

              uniLogo  | Article HTML | Article PDF

         

         

        • Two-nozzle flame spray pyrolysis (FSP) synthesis of CoMo/Al2O3 hydrotreating catalysts

              M. Høj, D. K. Pham, M. Brorson, L. Mädler, A. D. Jensen, J.-D. Grunwaldt

              Catal. Lett., 143, 286 (2013)

              uniLogo  | Article HTML | Article PDF

         

         

         

         

        Publications 2012

         

        • Aerobic Epoxidation of Olefins Catalyzed by the Cobalt-Based Metal–Organic Framework STA-12(Co)

               M.J. Beier, W. Kleist, M.T. Wharmby, R. Kissner, B. Kimmerle, P.A. Wright, J.-D. Grunwaldt, A. Baiker

               Chem. Eur. J. 18, 887 (2012).

               uniLogo  | Article HTML  | Article PDF 

         

         

        • In Situ XAS/EDXRD Studies on the Hydrothermal Formation of Bi2W1-xMoxO6 Nanomaterials

              Y. Zhou, E. Antonova, Y. Lin, J.-D. Grunwaldt, W. Bensch, G.R. Patzke

              In: Eur. J. Inorg. Chem., 783 (2012).

              uniLogo  | Article HTML  | Article PDF 

         
         

        • Oscillatory Behavior during the Catalytic Partial Oxidation of Methane: Following Dynamic Structural changes of Palladium using the QEXAFS Technique

              J. Stötzel, R. Frahm, B. Kimmerle, M. Nachtegaal, J.-D. Grunwaldt 

              J. Phys. Chem. C, 599, 559 (2012).

              uniLogo  | Article HTML  | Article PDF 

         

         

         

         

         

        • Mechanistic study of tungstite formation in benzyl alcohol using advanced QEXAFS technique

              I. Olliges-Stadler, J. Stötzel, D. Koziej, M.D. Rossell, J.-D. Grunwaldt, M. Nachtegaal, R. Frahm, Markus Niederberger

             Chem. Eur. J., 18, 2305 (2012)

              uniLogo  | Article HTML | Article PDF

         

         

        • Selective oxidation of benzyl alcohol in dense CO2: insight by phase behavior modeling

              M.J. Beier, J.-D. Grunwaldt, I. Tsivintzelis, A.D. Jensen, G.M. Kontogeorgis, A. Baiker

              In: J. Supercritical Fluids 63, 199 (2012).

               uniLogo | Article HTML  | Article PDF 

         

         

         

         

         

         

         

         

        • Fluid phase equilibria of the reaction mixture during the selective hydrogenation of 2-butenal in dense carbon dioxide

              N.E. Musko, A.D. Jensen, A. Baiker, G.M. Kontogeorgis, J.-D. Grunwaldt

              Appl. Catal. A, 67-75 (2012).

              uniLogo  | Article HTML  | Article PDF 

         

         

         

         

         

         

        • Structure–activity relationships of Pt/Al2O3 catalysts for CO and NO oxidation at diesel exhaust conditions

              A. Boubnov, S. Dahl, E. Johnson, A. Puig Molina, S. Bredmose Simonsen, F. Morales Cano, S. Helveg,

              L.J. Lemus-Yegres, J.-D. Grunwaldt

              Applied Catalysis B: 126, 25 315-325 (2012)

              uniLogo  | Article HTML  | Article PDF 

         

         

         

         

         

         

          

        • CO hydrogenation to methanol on Cu–Ni catalysts: Theory and experiment

              F. Studt, F. Abild-Pedersen, Q. Wu, A.D. Jensen, B. Temel, J.-D. Grunwaldt, J.K. Nørskov 

              J. Catal. 293, 51-60 (2012)

             uniLogo  | Article HTML  | Article PDF 

         

         

         

         

         

         

         

        • An Au clusters related spill-over sensitization mechanism in SnO2-based gas sensors identified by operando HERFD-XAS, work function changes, DC resistance and catalytic conversion studies

              M. Hübner, D. Koziej, N. Barsan, U. Weimar, J.-D. Grunwaldt

              Phys. Chem. Chem. Phys 14, 13103 (2012).

             uniLogo  | Article HTML  | Article PDF

         

         

         

         

         

         

        • T-REX - New software for advanced QEXAFS data analysis

               J. Stötzel, D. Lützenkirchen-Hecht, J.-D. Grunwaldt, R. Frahm

               J. Synchrotron Rad. 19, 920 (2012).

             uniLogo  | Article HTML  | Article PDF 

         

         

        • In situ Analysis of Heterogeneous Catalysts in Chemical Energy Conversion

               J.-D. Grunwaldt

               in: R. Schlögl (Ed.) Chemical Energy Storage, Walter de Gruyter GmbH, Berlin/ Boston, ISBN: 978-3-11-026632-0,

               2012, pp. 311.

              uniLogo  | Article HTML | Article PDF

         

         

        Publications 2011

        2011

        • Internal steam reforming in solid oxide fuel cells: Status and opportunities of kinetic studies and their impact on modelling

              D. Mogensen, J.-D. Grunwaldt, P. V. Hendriksen, K. Dam-Johansen, J. U. Nielsen

              In: J. Power Sources 196, 25 (2011)

               uniLogo  | Article HTML | Article PDF

         

         

        • Characterization of highly porous nanoparticle deposits by permeance measurements Characterization of highly porous

              T. Dokkedal Elmøe, T. Antonio, J.-D. Grunwaldt

              In: Powder Technol. 207, 279 (2011)     

               uniLogo | Article HTML | Article PDF

         

         

         

        • W/Mo-Oxide Nanomaterials: Structure-Property Relationships and Ammonia Sensing Studies  W/Mo-Oxide Nanomaterials

              Y. Zhou, K. Zheng, T. Fox, X. Mo, G. Chen, J.-D. Grunwaldt, L. Gu,

              In: J. Phys. Chem. C 115, 1134 (2011)

              uniLogo | Article HTML | Article PDF 

         

         

         

        • Interplay between size and crystal structure of molybdenum dioxide nanoparticles: synthesis, growth mechanism, and electrochemical performance

              D. Koziej, M.D. Rossell, B. Ludi, A. Hintennach, P. Novák, J.-D. Grunwaldt, M. Niederberger

              In: Small 7, 377 (2011)

               uniLogo | Article HTML | Article PDF

         

         

         

        • Experimental determination and modeling of the phase behavior for the selective oxidation of benzyl alcohol in supercritical CO2

              I. Tsivintzelis, M.J. Beier, J.-D. Grunwaldt, A. Baiker, G.M.Kontogeorgis

              In: Fluid Phase Equil. 302, 83 (2011)

               uniLogo | Article HTML | Article PDF

         

         

         

        • The Structure and Behavior of Platinum in SnO2-based sensors under working conditions

              M. Hübner, D. Koziej, M. Bauer, N. Barsan, K. Kvashninad, M.D. Rossell, U. Weimar, J.-D. Grunwaldt

              In: Angew. Chem. 50, 2841 (2011)

               uniLogo | Article HTML | Article PDF

         

         

         

        • Kinetics of acetic acid synthesis from ethanol over a Cu/SiO2 catalystKinetics of acetic acid synthesis

              B. Voss, N.C. Schjodt, J-D. Grunwaldt, S.I. Andersen, J.M. Woodley

              In: Appl. Catal. A, 402, 69 (2011)

               uniLogo | Article HTML | Article PDF

         

         

         

        • Flame spray synthesis of CoMo/Al(2)O(3) hydrotreating catalysts

              M. Hoj, L. Kasper, T.K. Hansen, M. Brorson, A.D. Jensen, J.-D. Grunwaldt,Flame spray synthesis

             In: Appl. Catal. A, 397, 201 (2011)

              uniLogo | Article HTML | Article PDF

         

         

        • Identification of the active species generated from supported Pd catalysts in Heck reactions: An in situ quick scanning EXAFS investigationIdentification of the Active Species

             S. Reimann, J. Stötzel, R. Frahm, W. Kleist, J.-D. Grunwaldt, A. Baiker,

             In: J. Am. Chem. Soc., 133, 3921 (2011)

              uniLogo | Article HTML | Article PDF

         

         

        • Redox properties of supported copper catalysts studied in liquid and gas phase by in situ ATR-IR and XAS

              C. Mondelli, D. Ferri, J.-D. Grunwaldt, N. Ravasio, A. Baiker,           Redox properties

              In: Catal. Today, 178, 124 (2011)

               uniLogo | Article HTML | Article PDF

         

         

        • A review of catalytic upgrading of bio-oil to engine fuels A review of catalytic

              P.M. Mortensen, J.-D. Grunwaldt, P.A. Jensen, K.G. Knudsen, A.D. Jensen

              In: Appl. Catal. A, 407 1 (2011)

               uniLogo | Article HTML | Article PDF
         

         

        • Heterogeneously Catalysed Aldol Reactions in Supercritical Carbon Dioxide as Innovative and Non-Flammable Reaction Medium

              N.E. Musko und J.-D. Grunwaldt

              In: Topics Catal. 54, 16 (1115)

               uniLogo | Article HTML | Article PDF

         

         

         

        Publications and Patents

        2010

        B. Kimmerle, J. D. Grunwaldt, A. Baiker, Oscillatory behaviour of catalytic properties, structure and temperature during the catalytic partial oxidation of methane on Pd/Al2O3, Phys. Chem. Chem. Phys. 12, 2288 (2010).

        R. Frahm, M. Nachtegaal, J. Stötzel, M. Harfouche, J.A. van Bokhoven, and J.-D. Grunwaldt, The dedicated QEXAFS facility at the SLS: Performance and Scientific Opportunities. AIP Conf. Proc. 1234, 251 (2010).

        P. N. R. Vennestrom, C. H. Christensen, S. Pedersen, J. D. Grunwaldt, J. M. Woodley, Next-Generation Catalysis for Renewables: Combining Enzymatic with Inorganic Heterogeneous Catalysis for Bulk Chemical Production, Chemcatchem 2, 249 (2010).

        Y. Zhou, J.-D. Grunwaldt, F. Krumeich, K. B. Zheng, G. R. Chen, J. Stotzel, R. Frahm, G. R. Patzke, Hydrothermal Synthesis of Bi6S2O15 Nanowires: Structural, in situ EXAFS, and Humidity-Sensing Studies, Small 6, 1173 (2010).

        F. Conrad, Y. Zhou, M. Yulikov, K. Hametner, S. Weyeneth, G. Jeschke, D. Gunther, J.-D. Grunwaldt, G. R. Patzke, Microwave-Hydrothermal Synthesis of Nanostructured Zinc-Copper Gallates, Eur. J. Inorg. Chem. 13, 2036 (2010).

        A. B. Laursen, K. T. Hojholt, L. F. Lundegaard, S. B. Simonsen, S. Helveg, F. Schuth, M. Paul, J. D. Grunwaldt, S. Kegnoes, C. H. Christensen, K. Egeblad, Substrate Size-Selective Catalysis with Zeolite-Encapsulated Gold Nanoparticles, Angew. Chem. Int. Ed. 49, 3504 (2010). 
         
        C. Mondelli, J. D. Grunwaldt, D. Ferri, A. Baiker, Role of Bi promotion and solvent in platinum-catalyzed alcohol oxidation probed by in situ X-ray absorption and ATR-IR spectroscopy, Phys. Chem. Chem. Phys. 12, 5307 (2010).

        P. N. R. Vennestrom, C. H. Christensen, S. Pedersen, J. D. Grunwaldt, J. M. Woodley, Chemoenzymatic Combination of Glucose Oxidase with Titanium Silicalite-1, Chemcatchem 2, 943 (2010).

        S. Reimann, J.-D. Grunwaldt, T. Mallat, A BaikerAsymmetric C-C Bond-Formation Reaction with Pd: How to Favor Heterogeneous or Homogeneous Catalysis?, Chem. Eur. J. 16, 9658 (2010).

        M.J. Beier, B. Schimmoeller, T.W. Hansen, J.E.T. Andersen, S.E. Pratsinis, J. D. Grunwaldt, Selective side-chain oxidation of alkyl aromatic compounds catalyzed by cerium modified silver catalysts, J. Mol. Catal.  A 331, 40 (2010).

        J.-D. Grunwaldt, C.G. Schroer, Hard and soft X-ray microscopy and tomography in catalysis: Bridging the different time and length scales, Chem. Soc. Rev. 39, 4741 (2010).

        S. Henke, R. Schmid, J.-D. Grunwaldt, R.A. Fischer, "Flexibility And Sorption Selectivity In Rigid Metal-Organic Frameworks: The Impact Of Ether-Functionalised Linkers", Chem. Eur. J. 16, 14296 (2010).

        2009

        F. Jutz, J.-D. Grunwaldt, A. Baiker, “In situ XAS study of the Mn(III)(salen)Br catalyzed synthesis of cyclic organic carbonates from epoxides and CO2”, J. Mol. Catal. A 297, 63 (2009).

        B. Kimmerle, P. Haider, J.-D. Grunwaldt, A. Baiker, P. Boye, C.G. Schroer, “High throughput cell for X-ray absorption spectroscopy applied to study the effect of Au on Rh-catalyzed partial oxidation of methane”, Appl. Catal. A 363, 36 (2009).

        P. Haider, J.-D. Grunwaldt, A. Baiker, Gold supported on Mg, Al and Cu containing mixed oxides: Relation between surface properties and behavior in catalytic aerobic oxidation of 1-phenylethanol, Catal. Today 141, 349 (2009)

        L. Aschwanden, T. Mallat, J.-D. Grunwaldt, A. Baiker, "Gold-catalyzed aerobic oxidation of dibenzylamine: Homogeneous or heterogeneous catalysis?", J. Mol. Catal. A 300, 111 (2009).

        S. Hannemann, J.-D. Grunwaldt, Bertram B. Kimmerle, A. Baiker, P. Boye, C.G. Schroer, "Axial Changes of Catalyst Structure and Temperature in a Fixed-Bed Microreactor During Noble Metal Catalysed Partial Oxidation of Methane", Topics Catal. 52, 1360 (2009).

        J.-D. Grunwaldt, B. Kimmerle, A. Baiker, P. Boye, C.G. Schroer, P. Glatzel, C.N. Borca, F. Beckmann, Catalysts at work: From integral to spatially resolved X-ray absorption spectroscopy, Catal. Today 145, 267 (2009).

        T. Seki, J.-D. Grunwaldt, A. Baiker, “In Situ Attenuated Total Reflection Infrared Spectroscopy of Imidazolium-Based Ionic Liquids under “Supercritical” CO2“, J. Phys. Chem. B 113, 114 (2009).

        C.G. Schroer, J.-D. Grunwaldt, “X-Ray Absorption Spectroscopic Microscopy: From the Micro- to the Nanoscale”, Synchr. Rad. News 120, 23 (2009).

        B. Kimmerle, J.-D. Grunwaldt, A. Baiker, P. Glatzel, P. Boye, S. Stephan, C.G. Schroer, “Visualizing a Catalyst at Work during the Ignition of the Catalytic Partial Oxidation of Methane”, J. Phys. Chem. C 113, 3037 (2009).

        D. Koziej, M. Hübner, N. Barsan, U. Weimar, M. Sikora, J.-D. Grunwaldt, "Operando X-ray absorption spectroscopy studies on Pd-SnO2 based sensors", Physical Chemistry Chemical Physics 11, 8620 (2009),, DOI: 10.1039/b906829e.

        M.J. Beier, T.W. Hansen, J.-D. Grunwaldt, "Selective liquid-phase oxidation of alcohols catalyzed by a silver-based catalyst promoted by the presence of ceria", J. Catal. 266, 320 (2009), doi:10.1016/j.jcat.2009.06.022.

        J.-D. Grunwaldt, M. Beier, B. Kimmerle, A. Baiker, M. Nachtegaal, B. Griesebock, D. Lützenkirchen-Hecht, J. Stötzel, R. Frahm, "Structural changes of noble metal catalysts during ignition and extinction of the partial oxidation of methane studied by advanced QEXAFS techniques", Physical Chemistry Chemical Physics 11, 8779 (2009).

        M. Høj, M.J. Beier, J.-D. Grunwaldt, S. Dahl, "The role of monomeric iron during the selective catalytic reduction of NOx by NH3 over Fe-BEA zeolite catalysts", Appl. Catal. B 93, 166 (2009).

        J.-D. Grunwaldt, “Shining X-rays on catalysts at work”, XAFS14 proceedings 190, 012151 (2009).

        J. Stötzel, D. Lützenkirchen-Hecht, R. Frahm, B. Kimmerle, A. Baiker, M. Nachtegaal, M.J. Beier and J.-D. Grunwaldt, “Reduction and re-oxidation of Cu/Al2O3 catalysts investigated with quick scanning XANES and EXAFS”, XAFS14 proceedings 190, 012153 (2009).

        J. Stötzel, D. Lützenkirchen-Hecht, R. Frahm, B. Kimmerle, A. Baiker, M. Nachtegaal, M.J. Beier and J.-D. Grunwaldt, “Investigation of the ignition and extinction behaviour of the noble metal catalysed catalytic partial oxidation of methane”, XAFS14 proceedings 190, 012162 (2009)..

        J.-D. Grunwaldt, , N. van Vegten, A. Baiker, W. van Beek, "Insight into the structure of Pd/ZrO2 during the total oxidation of methane using combined in situ XRD, X-ray absorption and Raman spectroscopy", XAFS14 proceedings 190, 012160 (2009).

        D. Klukowski, P. Balle, B. Geiger, S. Wagloehner, S. Kureti, B. Kimmerle, A. Baiker, J.-D. Grunwaldt, "On the mechanism of the SCR reaction on Fe/HBEA zeolite", Appl. Catal. B 93, 166 (2009).

         

        2008

        M. Casapu, J.-D. Grunwaldt, M. Maciejewski, F. Krumeich, A. Baiker, M. Wittrock, S. Eckhoff, Comparative study of structural properties and NOx storage-reduction behavior of Pt/Ba/CeO2 and Pt/Ba/Al2O3, Appl. Catal. B 78, 288 (2008).

        F. Jutz, J.-D. Grunwaldt, A. Baiker, "Mn(III)(salen)-catalyzed synthesis of cyclic organic carbonates from propylene and styrene oxide in supercritical CO2", J. Mol. Catal. A 279, 94 (2008).

        M. Casapu, J.-D. Grunwaldt, M. Maciejewski, A. Baiker, R. Hoyer, M. Wittrock, S.  Eckhoff, “Enhancement of activity and self-reactivation of NSR-catalysts by temporary formation of BaPtO3-perovskite”, Catal. Lett. 120, 1 (2008).

        R. Kiebach, N. Pienack, W. Bensch, J.-D. Grunwaldt, A. Michailovski, A. Baiker, T. Fox, Y. Zhou, G.R. Patzke, "Hydrothermal Formation of W/Mo-Oxides: A Multidisciplinary Study of Growth and Shape”, Chem. Mat. 20, 3022 (2008).

         W.Y. Teoh, R. Setiawan, L. Mädler, J.-D. Grunwaldt, R. Amal, S.E. Pratsinis, ” Ru-Doped Cobalt−Zirconia Nanocomposites by Flame Synthesis: Physicochemical and Catalytic Properties”, Chem. Mat. 20, 4069 (2008).

        T. Seki, J.-D. Grunwaldt, A. Baiker, “Palladium Supported on an Acidic Resin: A Unique Bifunctional Catalyst for the Continuous Catalytic Hydrogenation of Organic Compounds in Supercritical CO2”, Adv. Synth. Catal. 350, 691 (2008).

        P. Haider, J.-D. Grunwaldt, A. Baiker, ” Gold supported on Mg, Al and Cu containing mixed oxides: Relation between surface properties and behavior in catalytic aerobic oxidation of 1-phenylethanol”, Catal. Today, accepted for publication.10.     Kimmerle, P. Haider, J.-D. Grunwaldt, A. Baiker, P. Boye, C.G. Schroer,  “High throughput cell for X-ray absorption spectroscopy applied to study the effect of Au on Rh-catalyzed partial oxidation of methane”, submitted.

        T. Seki, J.-D. Grunwaldt, A. Baiker, “Heterogeneous Catalytic Hydrogenation in Supercritical Fluids: Potential and Limitations” Ind. Chem. Eng. Res., accepted for publication.

        P. Haider, B. Kimmerle, F. Krumeich, W. Kleist, J.-D. Grunwaldt, A. Baiker, “Gold-catalyzed aerobic oxidation of benzyl alcohol: Effect of gold particle size on activity and selectivity in different solvents”, Catal. Lett., accepted for publication.

         

        2007

        S. Hannemann, J.-D. Grunwaldt, D. Günther, F. Krumeich, P. Lienemann, A. Baiker, „Combination of flame synthesis and high throughput experimentation: Preparation of alumina supported noble metal particles and their application in the catalytic partial oxidation of methane”, Appl. Catal. A 316, 226 (2007).

        M. Caravati, J.-D. Grunwaldt, A. Baiker, “Comparative in situ XAS investigations during aerobic oxidation of alcohols over ruthenium, platinum and palladium catalysts in supercritical CO2”, Catal. Today 126, 27 (2007).

        A. Michailowski, R. Kiebach, W. Bensch, J.-D. Grunwaldt, A. Baiker, S. Komarneni, G.R. Patzke, “Morphological and kinetic studies on hexagonal tungstates”, Chem Mat. 19, 185 (2007).

        S. Hannemann, J.-D. Grunwaldt, N. van Vegten, A. Baiker, P. Boye, C.G. Schroer, "Distinct  Spatial Changes of the Catalyst Structure inside a Fixed-Bed Microreactor during the Partial Oxidation of Methane over Rh/Al2O3", Catal. Today 126, 54 (2007).

        G.D. Pirngruber, J.-D. Grunwaldt, Pijus K. Roy, J.A. van Bokhoven,  O. Safonova, P. Glatzel, “The nature of the active site in the Fe-ZSM-5/N2O system studied by (Resonant) Inelastic X-ray scattering”, Catal. Today 126, 127 (2007).

        M. Casapu, J.-D. Grunwaldt, M. Maciejewski, A. Baiker, M. Wittrock, U. Göbel, S. Eckhoff, “Thermal ageing phenomena and strategies towards reactivation of NOx-storage catalysts”, Topics Catal. 42-43, 3 (2007).

        M. Ramin, S. Reimann, J.-D. Grunwaldt, A. Baiker, "In Situ Monitoring of Ni Catalysts during the Synthesis of Propylene Carbonate", AIP Conference Proceedings “X-ray absorption Fine Structure – XAFS13”, 882, 669 (2007).

        J.-D. Grunwaldt, A. Baiker, “Time-resolved and operando XAS studies on heterogeneous catalysts – from the gas phase towards reactions in supercritical fluids”, AIP Conference Proceedings “X-ray absorption Fine Structure – XAFS13”, 882, 577 (2007).

        P. Glatzel, M. Sikora, S. G. Eeckhout, O. V. Safonova, G. Smolentsev, G. Pirngruber, J. A. van Bokhoven, J.-D. Grunwaldt, M. Tromp, "Hard X-Ray Photon-In-Photon-Out Spectroscopy with Lifetime Resolution – of XAS, XES, RIXSS and HERFD", AIP Conference Proceedings “X-ray absorption Fine Structure – XAFS13”, 882, 1731 (2007).

        B. Kimmerle, J.-D, Grunwaldt, A. Baiker, „Selective alcohol oxidation over gold catalysts with molecular oxygen in „supercritical“ carbon dioxide”, Topics Catal 44, 285 (2007).

        S. Hannemann, M. Casapu, J.-D. Grunwaldt, P. Haider, P. Trüssel, A. Baiker, and E. Welter, “A versatile in situ spectroscopic cell forluorescence/transmission EXAFS and X-ray diffraction of heterogeneous catalysts in gas and liquid phase”, J. Synchrotron Radiat. 14, 345 (2007).

        J.-D. Grunwaldt, B. Kimmerle, S. Hannemann, A. Baiker, P. Boye and C.G. Schroer, “Parallel structural screening of solid materials”,  J. Mater. Chem., 17, 2603 (2007).

        T. Seki, J.-D. Grunwaldt, A. Baiker, "Continuous catalytic “one-pot” multi-step synthesis of 2-ethylhexanal from crotonaldehyde", Chem. Commun., 3562 (2007).

        P. Haider, J.-D. Grunwaldt, A. Baiker, ”Gold supported on Cu-Mg-Al and Cu-Ce mixed oxides: An in situ XANES study on the state of Au during aerobic alcohol oxidation”, J. Catal. 250, 313 (2007).

        M. Casapu, J.-D. Grunwaldt, M. Maciejewski, A. Baiker, S.  Eckhoff, U. Göbel, M. Wittrock, ” The fate of platinum in Pt/Ba/CeO2 and Pt/Ba/Al2O3 catalysts during thermal ageing”, J. Catal. 251, 28 (2007).

        J.-D. Grunwaldt, N. van Vegten , A. Baiker, "Insight into the structure of supported palladium catalysts during the total oxidation of methane", Chem. Commun., 4635 (2007).

        C. Mondelli, D. Ferri, J.-D. Grunwaldt, F. Krumeich, S. Mangold, R. Psaro, A. Baiker, "Combined liquid-phase ATR-IR and XAS study of the Bi-promotion in the aerobic oxidation of benzyl alcohol over Pd/Al2O3", J. Catal. 252, 77 (2007).

        G.L. Chiarello, J.-D. Grunwaldt, D. Ferri, F. Krumeich, C. Oliva, L. Forni, A. Baiker, "Flame synthesised LaCoO3-supported Pd: 1. Structure, thermal stability and reducibility", J. Catal. 252, 127 (2007).

        G.L. Chiarello, D. Ferri, J.-D. Grunwaldt, L. Forni, A. Baiker, "Flame synthesised LaCoO3-supported Pd: 2. Catalytic behaviour in the reduction of NO by H2 under lean conditions", J. Catal. 252, 137 (2007).

         

        2006

        M. Casapu, J.-D. Grunwaldt, M. Maciejewski, M. Wittrock, U. Göbel, A. Baiker, "Formation and Stability of Barium Aluminate and Cerate in NOx Storage-Reduction Catalysts”, Appl. Catal. B 63, 232 (2006).

        M. Caravati, J.-D. Grunwaldt, A. Baiker, "Solvent-modified Supercritical CO2: A Beneficial Medium for Heterogeneously Catalysed Oxidation Reactions", Appl. Catal. A 298, 50 (2006).

        S. Hannemann, J.-D. Grunwaldt, F. Krumeich, P. Kappen, A. Baiker, “Electron Microscopy and EXAFS Studies on Oxide-Supported Gold-Silver Nanoparticles Prepared by Flame Spray Pyrolysis”, Appl. Surf. Sci. 252, 7862 (2006).

        I. Ritzkopf, S. Vukojević, C. Weidenthaler, J.-D. Grunwaldt, F. Schüth, “Decreased CO production in methanol steam reforming over Cu/ZrO2 catalysts prepared by the microemulsion technique", Appl. Catal. A 302, 215 (2006).

        J.-D. Grunwaldt, S. Hannemann, C.G. Schroer, A. Baiker, “2D-Mapping of the Catalyst Structure inside a Catalytic Microreactor at Work:  Partial Oxidation of Methane over Rh/Al2O3 “,J. Phys. Chem. B 110, 8674 (2006).

        M. Ramin, J.-D.Grunwaldt, A. Baiker, “IR spectroscopy and phase behavior studies of the catalytic synthesis of propylene carbonate: Expanded liquid versus supercritical fluid”, Appl. Catal. A, 350, 46 (2006).

        M. Caravati, D.M. Meier, J.-D. Grunwaldt, A. Baiker, “Continuous catalytic oxidation of solid alcohols in supercritical CO2: A parametric and spectroscopic study of the transformation of cinnamyl alcohol Pd/Al2O3”, J. Catal. 240, 126 (2006).

        J.-D. Grunwaldt, M. Caravati, A. Baiker, „In situ extended X-ray absorption fine structure study during the selective alcohol oxidation over Pd/Al2O3 in supercritical carbon dioxide”, J. Phys. Chem. B 110, 9916 (2006).

        G.D. Pirngruber, J.-D. Grunwaldt, J.A. van Bokhoven,  A. Kalytta, A. Reller, O. Safonova, P. Glatzel, “On the presence of Fe(IV) in Fe-ZSM-5 and FeSrO3-x – Unequivocal detection of the 3d4-spin system by Resonant Inelastic X-ray Scattering”, J. Phys. Chem. B 110, 18104 (2006).

        M. Ramin, N. van Vegten, J.-D. Grunwaldt, A. Baiker, ”Simple preparation routes towards Zn-based catalysts for the solventless synthesis of propylene carbonate by carbon dioxide insertion”, J. Mol. Catal. A 258, 165 (2006).

        J.-D. Grunwaldt, M. Caravati, A. Baiker, “Oxidic or metallic palladium – which is the active phase in Pd-catalysed alcohol oxidation?”, J. Phys. Chem. Lett. B 110, 25586 (2006).

        L. Maedler, T. Sahm, A. Gurlo, J.-D. Grunwaldt, N. Barsan, U. Weimar, S.E. Pratsinis, ”Sensing Low Concentrations of CO Using Flame-spray-made Pt/SnO2 Nanoparticles”, J. Nanoparticle Res. 8, 783 (2006).

        J.-D. Grunwaldt, S. Hannemann, P. Boye, C.G. Schroer, A. Baiker, “Monitoring a catalyst at work”, Highlight of Analytical Chemistry, Chimia 60, 709 (2006).

         

        2005

        M. Rohr, J.-D. Grunwaldt, A. Baiker, “A Simple Route to Highly Active Ruthenium Catalysts for Formylation Reactions with Hydrogen and Carbon Dioxide “, J. Mol. Catal. A 226, 253 (2005).

        J.-D. Grunwaldt, A. Baiker “Axial Variation of the Oxidation State of Pt-Rh/Al2O3 during Partial Methane Oxidation in a Fixed-bed Reactor: An in situ X-ray Absorption Spectroscopy Study”, Catal. Lett. 99, 5 (2005).

        J.-D. Grunwaldt, C. Kiener, F. Schüth, A. Baiker, “X-ray Absorption Spectroscopy on Cu/ZnO Catalysts Selected by High-throughput Experimentation Techniques”, Physica Scripta T115, 819 (2005).

        C.G. Schroer, M. Kuhlmann, T.F. Günzler, B. Lengeler, M. Richwin, B. Griesebock, D. Lützenkirchen-Hecht, R. Frahm, E. Ziegler, A. Mashayekhi, D.R. Haeffner, J.-D. Grunwaldt, A. Baiker, „Analyzing Biological and Catalyst Samples by Tomographic X-ray Absorption Spectroscopy“, Physica Scripta T115, 1026 (2005).

        M. Caravati, J.-D. Grunwaldt, A. Baiker, “Benzyl Alcohol Oxidation in “Supercritical” Carbon Dioxide: Spectroscopic Insight into Phase Behaviour and Reaction Mechanism”, Phys. Chem. Chem. Phys. 7, 278 (2005).

        M. Rohr, J.-D. Grunwaldt, A. Baiker, “Formylation with Supercritical Carbon Dioxide over Ru/Al2O3 Modified by Phosphines: Heterogeneous or Homogeneous Catalysis?“, J. Catal. 229, 149 (2005).

        D. Lützenkirchen-Hecht, J.-D. Grunwaldt, M. Richwin, B. Griesebock, A. Baiker, R. Frahm, "Monitoring of fast Transformations in Solid State Chemistry and Heterogeneous Catalysis by QEXAFS in the Second Scale", Physica Scripta T115, 831 (2005).

        J.-D. Grunwaldt, S. Hannemann, J. Göttlicher, S. Manegold, M. Denecke, A. Baiker, „X-ray Absorption Spectroscopy on Heterogeneous Catalysts at the New XAS beamline at ANKA”, Physica Scripta T115, 769 (2005).

        Z. Opre, J.-D. Grunwaldt, M. Maciejewski, D. Ferri, T. Mallat, A. Baiker, "Promoted Ru–hydroxyapatite: Designed Structure for the Fast and Highly Selective Oxidation of Alcohols with Oxygen", J. Catal. 230, 406 (2005).

        J.-D. Grunwaldt, A. Baiker, “In situ Spectroscopic Investigation of Heterogeneous Catalysts and Reaction Media at High Pressure”, Phys. Chem. Chem. Phys. 7, 3526 (2005); invited article.

        J.-D. Grunwaldt, M. Rohr, M. Ramin, A. Michailovski, G.R. Patzke, A. Baiker, “High Pressure in situ X-ray Absorption Spectroscopy Cell for Studying Simultaneously the Liquid Phase and the Solid/liquid Interface”, Rev. Sci. Instr. 76, 054104 (2005).

        W.J. Stark, J.-D. Grunwaldt, M. Maciejewski, S.E. Pratsinis, A. Baiker, „Improved Thermal Stability of Flame-made Pt/ceria/zirconia for Low-temperature Oxygen Exchange”, Chem. Mat. 17, 3352 (2005).

        M. Ramin, J.-D.Grunwaldt, A. Baiker, “Behavior of Homogeneous and Immobilized Zinc-based Catalysts in Cycloaddition of CO2 to Propylene Oxide”, J. Catal. 234, 256 (2005).

        A. Michailovski, J.-D. Grunwaldt, A. Baiker, R. Kiebach, W. Bensch, G. R. Patzke, "Solvothermal Formation of MoO3 Fibers Studied by Complementary in situ-EXAFS/EDXRD Techniques", Angew. Chem. Int. Ed.  44 , 5643 (2005).

        M. Ramin, J.-D. Grunwaldt, A. Baiker, ”Solventless Synthesis of Propylene Carbonate Catalysed by Chromium Salen Complexes: Bridging Homogeneous and Heterogeneous catalysis”, J. Mol. Catal. A 242, 32 (2005).

        M. Burgener, D. Ferri, J.-D. Grunwaldt, T. Mallat, A. Baiker, „Supercritical Carbon Dioxide – An Inert Solvent for Catalytic Hydrogenation?”, J. Phys. Chem. B 109, 16794 (2005).

        R. Strobel, J.-D. Grunwaldt, A. Camenzind, S.E. Pratsinis, A. Baiker, “Flame-made Alumina-supported Pt-Pd particles and their Behaviour in Catalytic Methane Combustion”, Catal. Lett. 104, 9 (2005).

        Z. Opre, J.-D. Grunwaldt, T. Mallat, A. Baiker, “Selective Oxidation of Alcohols with Oxygen on Ru-Co-Hydroxyapatite: A Mechanistic Study”, J. Mol. Catal. A 242, 224 (2005).

        M. Rohr, M. Günther, F. Jutz, J.-D. Grunwaldt, H. Emerich, W. van Beek, A. Baiker, “Evaluation of Strategies for the Immobilization of Bidentate Ruthenium Phosphine Complexes Used for the Reductive Amination of Carbon Dioxide”, Appl. Catal. A 296, 238 (2005).

        S. Vukojević, O. Trapp, J.-D. Grunwaldt, C. Kiener, F. Schüth, “Quasi-homogenous Methanol Synthesis over Highly Active Copper Nanoparticles”, Angew. Chem. 44, 7978 (2005).

         

        2004

        C. Keresszegi, J.-D. Grunwaldt, T. Mallat, A. Baiker, „In situ EXAFS Study on the Oxidation State of Pd/Al2O3 and Bi-Pd/Al2O3 during the Liquid Phase Oxidation of 1-Phenylethanol”, J. Catal. 222, 268 (2004).

        M. Caravati, J.-D. Grunwaldt, A. Baiker, “Selective Oxidation of Benzyl Alcohol to Benzaldehyde in “Supercritical” Carbon Dioxide”, Catal. Today 91-92, 1 (2004).

        G.R. Patzke, A. Michailovski, F. Krumeich, R. Nesper, J.-D. Grunwaldt, A. Baiker, „A Novel, One-step Synthesis of Tailor-made Fibrous MoO3“, Chem. Mat. 16, 1126 (2004).

        E. Tegeler, A. Hagen, J.-D. Grunwaldt, F. Roessner, „An Alternative Method for Ion Exchanged Catalysts: Solid State Reaction“, Proceedings of the 14th International Zeolite Conference (Eds. E. van Steen et al., ISBN 0-958-46636), 2192 (2004).

        M.S. Schneider, J.-D. Grunwaldt, A. Baiker, „Near-critical CO2 in Mesoporous Silica Studied by In Situ FTIR Spectroscopy”, Langmuir 20, 2890 (2004).

        M.S. Schneider, A. Urakawa, J.-D. Grunwaldt, T. Bürgi, A. Baiker, “Identification of Catalyst Surface Species during Platinum-catalyzed Asymmetric Hydrogenation in a Supercritical Solvent“, Chem. Comm., 744 (2004).

        J.-D. Grunwaldt, M. Caravati, S. Hannemann, A.Baiker, „In situ X-ray Absorption Spectroscopy under Reaction Conditions: Suitability of Different Reaction Cells for Combined Catalyst Characterization and Time-resolved Studies“, Phys. Chem. Chem. Phys. 6, 3037 (2004).

        C. Keresszegi, T. Mallat, J.-D. Grunwaldt, A. Baiker, “A Simple Discrimination of the Promoter Effect in Alcohol  Oxidation and Dehydrogenation over  Platinum and Palladium”, J. Catal. 225, 138 (2004).

        N. Lopez J.K. Nørskov, T.V.W. Janssens, A. Carlsson, A. Puig-Molina, B.S. Clausen, J.-D. Grunwaldt, "The Adhesion and Shape of Nanosized Au particles in a Au/TiO2 catalyst", J. Catal. 225, 86 (2004).

         

        2003

        J.-D. Grunwaldt, R. Wandeler, A. Baiker, „Supercritical Fluids in Catalysis: Opportunities of in situ Spectroscopic Studies and Monitoring Phase Behaviour”, Catal. Rev. Sci. Eng. 45, 1 (2003).

        J.-D. Grunwaldt, C. Keresszegi, T. Mallat, and A. Baiker, “In situ EXAFS Study of Pd/Al2O3 during Aerobic Oxidation of Cinnamyl Alcohol in an Organic Solvent”, J. Catal. 213, 191 (2003).

        C. Kiener, M. Kurtz, H. Wilmer, C. Hoffmann, H.-W. Schmidt, J.-D. Grunwaldt, M. Muhler, F. Schüth, „High Throughput Screening under Demanding Conditions: Cu/ZnO Catalysts in High Pressure Methanol Synthesis as an Example”, J. Catal. 216, 110 (2003).

        J.-D. Grunwaldt, M. Maciejewski, A. Baiker, „In situ X-ray Absorption Spectroscopy Study During Methane Combustion over Pd/ZrO2 Catalysts“, Phys. Chem. Chem. Phys. 5, 1481 (2003).

        C.G. Schroer, M. Kuhlmann, T.F. Günzler, B. Lengeler, M. Richwin, B. Griesebock, D. Lützenkirchen-Hecht, R. Frahm, E. Ziegler, A. Mashayekhi, D.R. Haeffner, J.-D. Grunwaldt, A. Baiker, „Mapping the Chemical States of an Element Inside a Sample Using Tomographic X-ray Absorption Spectroscopy, Appl. Phys. Lett. 82, 3360 (2003).

        C. Keresszegi, J.-D. Grunwaldt, T. Mallat, A. Baiker, „Liquid Phase Oxidation of Alcohols with Oxygen: In situ Monitoring of the Oxidation State of Bi-Promoted Pd/Al2O3” Chem. Comm., 2304 (2003).

        M.S. Schneider, J.-D. Grunwaldt, T. Bürgi, A. Baiker, „High Pressure View-Cell for Simultaneous in situ Infrared Spectroscopy and Phase Behaviour Monitoring of Multiphase Chemical Reactions”, Rev. Sci. Instr. 74, 4121 (2003).

        J.-D. Grunwaldt, M. Caravati, M. Ramin, A. Baiker, “Probing Active Sites During Palladium-Catalysed Alcohol Oxidation in “Supercritical” Carbon Dioxide, Catal. Lett. 90, 221 (2003).

         

        2002

        J.-D. Grunwaldt, B.S. Clausen, “Combining XRD and EXAFS with On-line Catalytic Studies for in situ Characterization of Catalysts”, Topics in Catalysis 18, 37 (2002).

        J.-D. Grunwaldt, H. Teunissen, „Process for the catalytic oxidation of carbon monoxide and/or methanol”, Haldor Topsoe A/S, Eur. Pat. No. EP1209121, 2002; also published as Japanese patent No. JP2002220205, 2002, US Pat. No. US6692713, 2002.

        J.-D. Grunwaldt, P. Kappen, L. Basini, B.S. Clausen “Iridium Clusters for Catalytic Partial Oxidation of Methane – An in situ Transmission and Fluorescence XAFS Study”, Catal. Lett. 78, 13 (2002).

        P. Kappen, L. Tröger, H. Zink, G. Materlik, C. Reckleben, K. Hansen, J.-D. Grunwaldt, B.S. Clausen, “Silicon Drift Detectors as a Tool for Time Dependent Fluorescence XAFS Studies on Low Concentrated Catalysts”, J. Synchr. Rad. 9, 246 (2002).

        J.-D. Grunwaldt, C. Beck, W. Stark, A. Hagen, A. Baiker, “In situ XANES Study on TiO2-SiO2 Aerogels and Flame Made Materials”, Phys. Chem. Chem. Phys. 4, 3514 (2002).

         

        2001

        J.-D. Grunwaldt, P. Kappen, B.S. Hammershøi, L. Tröger, B.S. Clausen, “Fluorescence EXAFS for the in situ Study on the State of Promoters in Catalysis”, J. Synchr. Rad. 8, 572 (2001).

        J.-D. Grunwaldt, L. Basini, B.S. Clausen, “In situ EXAFS Study on Rh/Al2O3 Catalysts for Catalytic Partial Oxidation of Methane”, J. Catal. 200, 321 (2001).

        P. Kappen, J.-D. Grunwaldt, B.S. Hammershøi, L. Tröger, G. Materlik, B.S. Clausen, “In situ Fluorescence XAFS Study on the State of the Cu Promoter Atoms in High Temperature Shift Catalysts”, J. Catal. 198, 56 (2001).

        J.-D. Grunwaldt, D. Lützkirchen-Hecht, M. Richwin, S. Grundmann, B.S. Clausen, R. Frahm, “The Study of Transformations of Solids in the Millisecond Range – A Piezo XAFS study”, J. Phys. Chem. 105, 5161 (2001).

        M. Maciejewski, P. Fabrizioli, J.-D. Grunwaldt, O.S. Becker, A. Baiker, “Supported Gold Catalysts for CO Oxidation: Effect of Calcination on Structure, Adsorption and Catalytic Behaviour”, Phys. Chem. Chem. Phys. 3, 3817 (2001).

        H.T. Teunissen, J.-D. Grunwaldt, B.T. Jespersen, A. Leerskov, G. Mogensen, J. Perregaard, G. Vorbeck, J. Nerlov, „Preparation, Activation and Catalytic Performance of New, Highly Active VPO Catalysts for the Selective Oxidation of Butane“, Proceedings of the 4th World Congress on Oxidation Catalysis, p. 101 – 106 (2001).

         

        2000 and earlier

        J.-D. Grunwaldt, A.M. Molenbroek, N.-Y. Topsøe, H. Topsøe, B.S. Clausen, “In Situ Investigations of Structural Changes in Cu/ZnO Catalysts”, J. Catal. 194, 452 (2000).

        M.D. Wildberger, M. Maciejewski, J.-D. Grunwaldt, T. Mallat, A. Baiker, “Sol-gel Bismuth-Molybdenum-Titanium Mixed Oxides II - Oxidation of Butadiene to Furan”, Appl. Catal. A: General, 179(1-2), 189 (1999).

        J.-D. Grunwaldt, C. Kiener, C. Wögerbauer, A. Baiker, “Preparation of Supported Catalysts for Low Temperature CO Oxidation via “Size-Controlled” Gold Colloids”, J. Catal. 181(2), 223 (1999).

        J.-D. Grunwaldt, A. Baiker, “Gold/Titania Interfaces and Their Role in Carbon Monoxide Oxidation”, J. Phys. Chem. B – Condensed Phase 103(6), 1002 (1999).

        J.-D. Grunwaldt, M. Maciejewskij, O.S. Becker, P. Fabrizioli, A. Baiker, “Comparative Study of Au/TiO2 and Au/ZrO2 Catalysts for Low-Temperature CO Oxidation”, J. Catal. 186 (2), 458 (1999).

        J.-D. Grunwaldt, M.D. Wildberger, T. Mallat, A. Baiker, “Unusual Redox Properties of Bismuth in Sol-Gel Bi-Mo-Ti Mixed Oxides”, J. Catal. 177, 53-59 (1998).

        J.-D. Grunwaldt. O. Becker, A. Baiker, “Investigation of Small Size-controlled Gold Particles for Low Temperature CO Oxidation by Electron Microscopy”, ICEM Proceedings, 14, Vol. II, 431-432 (1998).

        S.M. Auer, J.-D. Grunwaldt, A. Baiker, “Reduction of 4-Nitrotoluene over Fe-Mg-Al LDHs”, J. Mol. Catal. A Chemical, 139 (2), 305-314 (1998).

        M.D. Wildberger, J.-D. Grunwaldt, M. Maciejewski, T. Mallat, A. Baiker, “Sol-gel Bismuth-Molybdenum-Titanium Mixed Oxides I, Preparation and Structural Properties”, Appl. Catal. A, 175(1-2), 11 (1998).

        M.D. Wildberger, J.-D. Grunwaldt, T. Mallat, A. Baiker, “Comparison of the Redox Properties of Sol-gel and Conventionally Prepared Bi-Mo-Ti Mixed Oxides“, DGMK Tagungsbericht 9803, Proceedings of the DGMK Conference “Selective Oxidations in Petrochemistry”, eds. G. Emig, C. Kohlpainter, B. Lücke, p. 103 (1998).

        A. Baiker, J.-D. Grunwaldt, C.A. Müller, L. Schmid, “Catalytic Materials by Design”, Chimia 52 (10), 517 (1998).

        J.-D. Grunwaldt, U. Göbel, A.Baiker, “Preparation and Characterization of Thin TiO2 Films on Gold/mica”, Fres. J. Analyt. Chem. 358 (1-2), 96-100 (1997).

        C. Robson, M. A. Meek, J.-D. Grunwaldt, P.A. Lambert, S.F. Queener, D. Schmidt, R.J. Griffin, “Nonclassical 2,4-Diamino-5-aryl-6-ethylpyrimidine Antifolates”, J. Med. Chem. 40, 3040-3048 (1997).

        J.-D. Grunwaldt, F. Atamny, U. Göbel, A. Baiker, “Preparation of Thin Silver Films on Mica Studied by XRD and AFM”, Appl. Surf. Sci. 99, 353 (1996).

        J.-D. Grunwaldt, “First Reactive Species in Methanol Oxidation Atomically Resolved: Is this the Start of a New Era of Heterogeneous Catalysts?”, Chimia 50, 450 (1996).

        J-D. Grunwaldt, W. Gunßer, T. Danger, K. Petermann, A. Reller, “Determination of a New Titanium Site in Ti:YAlO3”, J. Phys. Chem. Solids 55 (8), 699 (1994).

        Further Selected General Articles and Highlights

        • J.-D. Grunwaldt, C. Kiener, J. Zipfel, “Internationale Chemie-Olympiade”, (International Chemistry Olympiad), Chemie i.d. Schule 38 (6), 279-282 (1995).
        • J.-D. Grunwaldt, W. Hampe, “Chemie-Olympiade in Moskau” (Chemistry Olympiad in Moscow), Chemie i.d. Schule 43 (12), 378-380 (1996).
        • J.-D. Grunwaldt, “Jungchemiker feiern”, (Young Chemists celebrate), Nachr. Chem. Tech. Lab. 45 (3), 268 (1997).
        • J.-D. Grunwaldt, “5 Jahre Förderverein Chemie-Olympiade - Es war einmal, wie fing es vor fünf Jahren an?” (5 Years Association for the Promotion of the Chemistry Olympiad - how did it begin?), Fasz. Chem. 3 (1), 5-6 (1997).
        • J.-D. Grunwaldt, K. Exner, C. Kiener, J. Zipfel, ”Die Chemie-Olympiade - eine Möglichkeit der Förderung von Jugendlichen in der Chemie” (The Chemistry Olympiad - one possibility for the promotion of Young Chemists), Unterr. Chem. 42 (8), 292-293 (1997).
        • J.-D. Grunwaldt, S. Hannemann, W. Bünder, “Lösungsstrategien und Übungsmöglichkeiten bei Chemie-Olympiade Aufgaben” (Solution strategies and handling Chemistry Olympiad problems), in Naturwissenschaft und Technik: Didaktik im Gespräch, Hrsg. H. Wambach, Bd. 27, LIT Verlag, Münster, 176-203 (1997).
        • J.-D. Grunwaldt, “Chemie-Olympiade – mehr als “nur” ein Auswahlwettbewerb: ein Überblick über Förderaktivitäten” (Chemistry Olympiad – more than “only” selection: an overview on the promotion program), in Naturwissenschaft und Technik: Didaktik im Gespräch, Hrsg. H. Wambach, LIT Verlag, Bd. 27, Münster 143-155 (1997).
        • J.-D. Grunwaldt, “In situ spectroscopy in heterogeneous catalysis”, article for pupils and students, Faszination Chemie 9, 16-22 (2003).
        • J.-D. Grunwaldt, M. Ramin, M. Caravati, A. Baiker, „Grüne Chemie: Kohlendioxid – umweltfreundliches Lösungsmittel und Synthesebaustein“ (Green Chemistry: Carbon dioxide as environmentally benign solvent and synthesis block), ETH Bulletin, 293, 85 (2004).
        • J.-D. Grunwaldt, M. Caravati, M. Ramin, A. Baiker, „Probing active sites during palladium-catalysed alcohol oxidation in „supercritical“ carbon dioxide“, HASYLAB Highlight Research Report and Annual Report 2004, p. 19 - 24 (2005); scientific report of DESY 2004, p. 130 – 134 (2005).
        • M. Denecke, R. Frahm, M. Fröba, J.-D. Grunwaldt, D. Lützenkirchen-Hecht, J. Röhler and E. Welter, „Absorption Spectroscopy [Beamline at PETRA III]“, in PETRA III Technical Design Report (Eds.: K. Balewski, W. Brefeld, W. Decking, H. Franz, R. Röhlsberger, E. Weckert), Deutsches Elektronen-Synchrotron, Hamburg, Germany, 2004, p. 334.
        • J.-D. Grunwaldt, S. Hannemann, M. Ramin, M. Rohr, A. Baiker, ”Ex situ and in situ characterization of heterogeneous catalysts”, Activity Report 03/04, Swiss Norwegian Beamlines at ESRF, p. 17-20 (2005).
        • J.-D. Grunwaldt, S. Hannemann, C.G. Schroer, A. Baiker, “2D-Mapping of the Catalyst Structure inside a Catalytic Microreactor at Work:  Partial Oxidation of Methane over Rh/Al2O3“, HASYLAB Highlight Research Report 2006, vol. 1, p. 37 – 41 (2006).
        • J.-D. Grunwaldt, ”Das technologische Potenzial von Reaktionen in überkritischem Kohlendioxid und deren Verständnis mittels in situ Spektroskopie (The technological potential of reactions in supercritical carbon dioxide and their understanding by means of in situ spectroscopy”, Infobrief Katalyse 11 / September 2006 (Journal of the DECHEMA subsection in catalysis), p. 4 – 7 (2006).
        • J.-D. Grunwaldt, N. van Vegten, A. Baiker, "Combination of in situ EXAFS and XRD with on-line gas analysis during the total oxidation of methane over palladium based catalysts", Highlight in the Activity Report 05/06 of the Swiss-Norwegian-Beamlines, pp. 24 - 26 (2007).
        • J.-D. Grunwaldt, B. Kimmerle, P. Glatzel, P. Boye, C.G. Schroer, "Filming a catalyst in action", Spotlight on Science, published on-line on the ESRF Homepage, Grenoble, France, June 2007 (www.esrf.eu/news/spotlight/spotlight46/spotlight46/).
        • S. Hannemann, J.-D. Grunwaldt, A. Baiker, C.G. Schroer, ”Zweidimensionale Röntgen-Absorptions-Spektroskopie (2D-XAS)” [2-dimensional X-ray absorption spectroscopy (2D-XAS)], Fasz. Chem. 13, 12 - 15 (2008).
        • B. Kimmerle, J.-D. Grunwaldt, A. Baiker, P. Glatzel, P. Boye, S. Stephan, C.G. Schroer, “Visualising the ignition of catalytic partial oxidation of methane”, ESRF Highlights 2008, ed. G. Adams, p. 16 – 18, ESRF, Grenoble, February 2009.
        • J.-D. Grunwaldt, A.I. Frenkel, “Synchrotron Studies of Catalysts: From XAFS to QEXAFS and Beyond”, Editor for two special issues of Synchrotron Radiation News, 22(1, 2), p. 2 (2009).
        • T. Bürgi, J.-D. Grunwaldt, M. Maciejewski, T. Mallat, „Preface to the Alfons Baiker Festschrift“, J. Phys. Chem. C 115, 814 (2011)
        • M. Hübner, D. Koziej, M. Bauer, N. Barsan, K. Kvashninad, M.D. Rossell, U. Weimar, J.-D. Grunwaldt, “Role of platinum in tin oxide based gas sensors: a study under working conditions”, ESRF Highlights 2011, ed. G. Adams, p. 17 – 18, ESRF, Grenoble, February 2012.
        • J.M. Christensen, P.V. Hendriksen, J.-D. Grunwaldt, A.D. Jensen „Chemical Energy Storage“, in: DTU International Energy Report 2013, eds. H. Hvidtfeld Larsen and L. Sønderberg Petersen, November 2013, ISBN: 978-87-550-3968-1