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RESEARCH PAPER · Angewandte Chemie International Edition · 2013

In Situ Study of Catalytic Processes: Neutron Diffraction of a Methanol Synthesis Catalyst at Industrially Relevant Pressure

Timur Kandemir, Frank Girgsdies, Thomas C. Hansen, Klaus‐Dieter Liss, Igor Kasatkin, Edward L. Kunkes, Gregor Wowsnick, Nikolas Jacobsen, Robert Schlögl, Malte Behrens

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In Situ Study of Catalytic Processes: Neutron Diffraction of a Methanol Synthesis Catalyst at Industrially Relevant PressureOriginalDie Rolle der Oxidkomponente für die Entwicklung von Kupfer‐Komposit‐Katalysatoren zur Synthese von Methanol35The Role of the Oxide Component in the Development of Copper Composite Catalysts for Methanol Synthesis229The Haber–Bosch Process Revisited: On the Real Structure and Stability of “Ammonia Iron” under Working Conditions730Über die Realstruktur von “Ammoniakeisen” und ihre Stabilität während des Haber‐Bosch‐Verfahrens51Microstructural and Defect Analysis of Metal Nanoparticles in Functional Catalysts by Diffraction and Electron Microscopy: The Cu/ZnO Catalyst for Methanol Synthesis37High Selectivity Higher Alcohols Synthesis from Syngas over Three‐Dimensionally Ordered Macroporous Cu‐Fe Catalysts79Cu/ZnO nanocatalysts in response to environmental conditions: surface morphology, electronic structure, redox state and CO 2 activation24Quantification of Zinc Atoms in a Surface Alloy on Copper in an Industrial‐Type Methanol Synthesis Catalyst308Quantification of Zinc Atoms in a Surface Alloy on Copper in an Industrial‐Type Methanol Synthesis Catalyst76Comparison of normal and reverse precipitation methods in the preparation of Cu/ZnO/Al2O3 catalysts for hydrogenolysis of butyl butyrate8Structural Evolution of Cu/ZnO Active Sites: From Reactive Environment to Ultrahigh Vacuum5Methanol synthesis on ZnO($000\overline{1}$0001¯). IV. Reaction mechanisms and electronic structure22Chemical Reactions followed byin situNeutron Powder Diffraction57Catalyst characterisation techniques and reaction cells operating at realistic conditions; towards acquisition of kinetically relevant information62Direct Observation of Graphene Growth and Associated Copper Substrate Dynamics by in Situ Scanning Electron Microscopy221Chemical hydrogen storage by methanol: Challenges for the catalytic methanol synthesis from CO233Heterogene Katalysatoren – fundamental betrachtet132Heterogeneous Catalysis1043Electron Microscopy of Solid Catalysts—Transforming from a Challenge to a Toolbox258Reaction Network of Methanol Synthesis over Cu/ZnO Nanocatalysts113Kinetics of deactivation on Cu/ZnO/Al2O3 methanol synthesis catalysts315Zinc-Rich Copper Catalysts Promoted by Gold for Methanol Synthesis104A highly effective and stable CuZn 0.3 Mg x AlO y catalyst for the manufacture of chiral l -phenylalaninol: the role of Mg and its hydrotalcite-like precursor11Determination of toluene hydrogenation kinetics with neutron diffraction8Different routes to methanol: inelastic neutron scattering spectroscopy of adsorbates on supported copper catalysts32Mechanism of the Surface Hydrogen Induced Conversion of CO2 to Methanol at Cu(111) Step Sites116Fundamental Understanding of the Interaction of Acid Gases with CeO2: From Surface Science to Practical Catalysis36Sustainable Energy Systems: The Strategic Role of Chemical Energy Conversion64Bridging the Time Gap: A Copper/Zinc Oxide/Aluminum Oxide Catalyst for Methanol Synthesis Studied under Industrially Relevant Conditions and Time Scales181Bridging the Time Gap: A Copper/Zinc Oxide/Aluminum Oxide Catalyst for Methanol Synthesis Studied under Industrially Relevant Conditions and Time Scales40Preparation of Active Cu/ZnO-based Catalysts for Methanol Synthesis9Catalysis10Effect of strain on the performance of iron-based catalyst in Fischer-Tropsch synthesis18Alcohol promoted methanol synthesis enhanced by adsorption of water and dual catalysts36Component ratio dependent Cu/Zn/Al structure sensitive catalyst in CO 2 /CO hydrogenation to methanol29Strong metal-oxide interactions induce bifunctional and structural effects for Cu catalysts25The high pressure gas capabilities at Oak Ridge National Laboratory’s neutron facilities3Neutron Scattering Investigations of Hydride Species in Heterogeneous Catalysis43Structure–Performance Relationships on Co-Based Fischer–Tropsch Synthesis Catalysts: The More Defect-Free, the Better56Moving Frontiers in Transition Metal Catalysis: Synthesis, Characterization and Modeling50Growth and Termination Dynamics of Multiwalled Carbon Nanotubes at Near Ambient Pressure: An in Situ Transmission Electron Microscopy Study82Operando Insights into Nanoparticle Transformations during Catalysis186CO2 hydrogenation to methanol: the structure–activity relationships of different catalyst systems54CO2 Hydrogenation with Cu/ZnO/Al2O3: A Benchmark Study81Chemical Batteries with CO250Chemische Batterien mit CO21Inverse ZnO/Cu catalysts for methanol synthesis from CO2 hydrogenation22Operando high-pressure investigation of size-controlled CuZn catalysts for the methanol synthesis reaction154A Career in Catalysis: Robert Schlögl4Operando Neutron Scattering: Following Reactions in Real Time Using Neutrons1Net Zero and Catalysis: How Neutrons Can Help9Next generation of nanozymes: A perspective of the challenges to match biological performance30Drastic Events and Gradual Change Define the Structure of an Active Copper‐Zinc‐Alumina Catalyst for Methanol Synthesis42Drastische Ereignisse und langsame Transformation definieren die Struktur eines aktiven Kupfer‐Zink‐Aluminiumoxid‐Katalysators für die Methanol Synthese3Dynamic interplay between metal nanoparticles and oxide support under redox conditions390Following Cu Microstructure Evolution in CuZnO/Al2O3(−Cs) Catalysts During Activation in H2 using in situ XRD and XRD‐CT4Visualizing Structural and Chemical Transformations of an Industrial Cu/ZnO/Al2O3 Pre‐catalyst during Activation and CO2 Reduction35Chemical Electron Microscopy (CEM) for Heterogeneous Catalysis at Nano: Recent Progress and Challenges11Neutron Scattering (NS) Spectroscopy0Shape-Dependent CO 2 Hydrogenation to Methanol over Cu 2 O Nanocubes Supported on ZnO93A review of in situ/operando studies of heterogeneous catalytic hydrogenation of CO2 to methanol31Visualizing Catalytic Dynamics Processes via Synchrotron Radiation Multitechniques43Efficient Selective Oxidation of Aromatic Alkanes by Double Cobalt Active Sites over Oxygen Vacancy‐rich Mesoporous Co3O468Efficient Selective Oxidation of Aromatic Alkanes by Double Cobalt Active Sites over Oxygen Vacancy‐rich Mesoporous Co3O417Neutron Scattering Studies of Heterogeneous Catalysis59Identifying and avoiding dead ends in the characterization of heterogeneous catalysts at the gas–solid interface42Heterogeneous catalysts, reaction kinetics, and reactor designs for methanol production from carbon dioxide: A critical review13From CO 2 to Methanol on Cu/ZnO/Al 2 O 3 Industrial Catalyst. What Do We Know about the Active Phase and the Reaction Mechanism?171The Enigma of Methanol Synthesis by Cu/ZnO/Al2O3-Based Catalysts189Natural Gas, Coal, Carbon Dioxide, and Biomass as Methanol Feedstocks0Design Principles of Catalytic Materials for CO 2 Hydrogenation to Methanol70On the secondary promotion effect of Al and Ga on Cu/ZnO methanol synthesis catalysts10Growth and mobility of copper in industrial Cu/ZnO/Al2O3 hydrogenation catalyst investigated by in situ gas-cell scanning transmission electron microscopy10Dynamic Features of Cu-Ceria Interface under CO 2 Hydrogenation to Methanol5Component-Specific Functions of Cu, Zn, and Zr in Inverse ZnZrO x /Cu Catalysts for CO 2 Hydrogenation to Methanol16

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  1. Die Rolle der Oxidkomponente für die Entwicklung von Kupfer‐Komposit‐Katalysatoren zur Synthese von Methanol

    Angewandte Chemie · 2013-05-28

    Stefan Zander, Edward L. Kunkes, Manfred Erwin Schuster, Julia Schumann, Gisela Weinberg, Detre Teschner, Nikolas Jacobsen, Robert Schlögl, Malte Behrens

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  2. The Role of the Oxide Component in the Development of Copper Composite Catalysts for Methanol Synthesis

    Angewandte Chemie International Edition · 2013-05-28

    Stefan Zander, Edward L. Kunkes, Manfred Erwin Schuster, Julia Schumann, Gisela Weinberg, Detre Teschner, Nikolas Jacobsen, Robert Schlögl, Malte Behrens

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  3. The Haber–Bosch Process Revisited: On the Real Structure and Stability of “Ammonia Iron” under Working Conditions

    Angewandte Chemie International Edition · 2013-10-09

    Timur Kandemir, Manfred Erwin Schuster, Anatoliy Senyshyn, Malte Behrens, Robert Schlögl

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  4. Über die Realstruktur von “Ammoniakeisen” und ihre Stabilität während des Haber‐Bosch‐Verfahrens

    Angewandte Chemie · 2013-10-09

    Timur Kandemir, Manfred Erwin Schuster, Anatoliy Senyshyn, Malte Behrens, Robert Schlögl

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  5. Microstructural and Defect Analysis of Metal Nanoparticles in Functional Catalysts by Diffraction and Electron Microscopy: The Cu/ZnO Catalyst for Methanol Synthesis

    Topics in Catalysis · 2013-10-24

    Timur Kandemir, Igor Kasatkin, Frank Girgsdies, Stefan Zander, Stefanie Kühl, Michael Tovar, Robert Schlögl, Malte Behrens

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  6. High Selectivity Higher Alcohols Synthesis from Syngas over Three‐Dimensionally Ordered Macroporous Cu‐Fe Catalysts

    ChemCatChem · 2013-12-27

    Yongwu Lu, Baobao Cao, Fei Yu, Jian Liu, Zhenghong Bao, Jinsen Gao

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  7. Cu/ZnO nanocatalysts in response to environmental conditions: surface morphology, electronic structure, redox state and CO 2 activation

    Physical Chemistry Chemical Physics · 2014-01-01

    Luis Martínez-Suárez, Johannes Frenzel, Dominik Marx

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  8. Quantification of Zinc Atoms in a Surface Alloy on Copper in an Industrial‐Type Methanol Synthesis Catalyst

    Angewandte Chemie International Edition · 2014-04-24

    Sebastian Kuld, Christian Conradsen, Poul Georg Moses, Ib Chorkendorff, Jens Sehested

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  9. Quantification of Zinc Atoms in a Surface Alloy on Copper in an Industrial‐Type Methanol Synthesis Catalyst

    Angewandte Chemie · 2014-04-24

    Sebastian Kuld, Christian Conradsen, Poul Georg Moses, Ib Chorkendorff, Jens Sehested

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  10. Comparison of normal and reverse precipitation methods in the preparation of Cu/ZnO/Al2O3 catalysts for hydrogenolysis of butyl butyrate

    Catalysis Communications · 2014-05-22

    Cheonwoo Jeong, Jongha Park, Jong Wook Bae, Young‐Woong Suh

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  11. Structural Evolution of Cu/ZnO Active Sites: From Reactive Environment to Ultrahigh Vacuum

    ChemCatChem · 2014-07-03

    Jianping Xiao, Andréia Luísa da Rosa, Ruiqin Q. Zhang, Wey Yang Teoh, Thomas Frauenheim

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  12. Methanol synthesis on ZnO($000\overline{1}$0001¯). IV. Reaction mechanisms and electronic structure

    The Journal of Chemical Physics · 2014-09-28

    Johannes Frenzel, Dominik Marx

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  13. Chemical Reactions followed byin situNeutron Powder Diffraction

    Zeitschrift für anorganische und allgemeine Chemie · 2014-10-20

    Thomas C. Hansen, Holger Kohlmann

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  14. Catalyst characterisation techniques and reaction cells operating at realistic conditions; towards acquisition of kinetically relevant information

    Catalysis Science & Technology · 2015-01-01

    Nikolaos E. Tsakoumis, Andrew P. E. York, De Chen, Magnus Rønning

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  15. Direct Observation of Graphene Growth and Associated Copper Substrate Dynamics by in Situ Scanning Electron Microscopy

    ACS Nano · 2015-01-13

    Zhu‐Jun Wang, Gisela Weinberg, Qiang Zhang, Thomas Lunkenbein, Achim Klein‐Hoffmann, Michalina Kurnatowska, Milivoj Plodinec, Qing Li, Lifeng Chi, Robert Schlögl, Marc‐Georg Willinger

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  16. Chemical hydrogen storage by methanol: Challenges for the catalytic methanol synthesis from CO2

    Recyclable Catalysis · 2015-01-16

    Malte Behrens

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  17. Heterogene Katalysatoren – fundamental betrachtet

    Angewandte Chemie · 2015-02-18

    Robert Schlögl

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  18. Heterogeneous Catalysis

    Angewandte Chemie International Edition · 2015-02-18

    Robert Schlögl

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  19. Electron Microscopy of Solid Catalysts—Transforming from a Challenge to a Toolbox

    Chemical Reviews · 2015-03-31

    Dang Sheng Su, Bingsen Zhang, Robert Schlögl

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  20. Reaction Network of Methanol Synthesis over Cu/ZnO Nanocatalysts

    ACS Catalysis · 2015-05-29

    Luis Martínez-Suárez, Niklas Siemer, Johannes Frenzel, Dominik Marx

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  21. Kinetics of deactivation on Cu/ZnO/Al2O3 methanol synthesis catalysts

    Applied Catalysis A General · 2015-06-18

    Matthias B. Fichtl, David Schlereth, Nikolas Jacobsen, Igor Kasatkin, Julia Schumann, Malte Behrens, Robert Schlögl, Olaf Hinrichsen

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  22. Zinc-Rich Copper Catalysts Promoted by Gold for Methanol Synthesis

    ACS Catalysis · 2015-08-18

    Oliver Martin, Cecilia Mondelli, Daniel Curulla‐Ferré, Charlotte Drouilly, Roland Hauert, Javier Pérez‐Ramírez

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  23. A highly effective and stable CuZn 0.3 Mg x AlO y catalyst for the manufacture of chiral l -phenylalaninol: the role of Mg and its hydrotalcite-like precursor

    Catalysis Science & Technology · 2015-12-03

    Zhangping Shi, Shuangshuang Zhang, Xiuzhen Xiao, Dongsen Mao, Guanzhong Lu

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  24. Determination of toluene hydrogenation kinetics with neutron diffraction

    Physical Chemistry Chemical Physics · 2016-01-01

    Marta Falkowska, Sarayute Chansai, Haresh Manyar, Lynn F. Gladden, Daniel T. Bowron, Tristan G. A. Youngs, Christopher Hardacre

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  25. Different routes to methanol: inelastic neutron scattering spectroscopy of adsorbates on supported copper catalysts

    Physical Chemistry Chemical Physics · 2016-01-01

    Timur Kandemir, Matthias Friedrich, Stewart F. Parker, Felix Studt, David Lennon, Robert Schlögl, Malte Behrens

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  26. Mechanism of the Surface Hydrogen Induced Conversion of CO2 to Methanol at Cu(111) Step Sites

    ACS Catalysis · 2016-01-04

    Yeonwoo Kim, Tran Si Bui Trung, Sena Yang, Sehun Kim, Hangil Lee

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  27. Fundamental Understanding of the Interaction of Acid Gases with CeO2: From Surface Science to Practical Catalysis

    Industrial & Engineering Chemistry Research · 2016-03-21

    Uma Tumuluri, Gernot Rother, Zili Wu

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  28. Sustainable Energy Systems: The Strategic Role of Chemical Energy Conversion

    Topics in Catalysis · 2016-04-13

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  29. Bridging the Time Gap: A Copper/Zinc Oxide/Aluminum Oxide Catalyst for Methanol Synthesis Studied under Industrially Relevant Conditions and Time Scales

    Angewandte Chemie International Edition · 2016-09-08

    Thomas Lunkenbein, Frank Girgsdies, Timur Kandemir, Nygil Thomas, Malte Behrens, Robert Schlögl, Elias Frei

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  30. Bridging the Time Gap: A Copper/Zinc Oxide/Aluminum Oxide Catalyst for Methanol Synthesis Studied under Industrially Relevant Conditions and Time Scales

    Angewandte Chemie · 2016-09-08

    Thomas Lunkenbein, Frank Girgsdies, Timur Kandemir, Nygil Thomas, Malte Behrens, Robert Schlögl, Elias Frei

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  31. Preparation of Active Cu/ZnO-based Catalysts for Methanol Synthesis

    Applied Chemistry for Engineering · 2016-12-10

    Cheonwoo Jeong, Young‐Woong Suh

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  32. Catalysis

    Experimental methods in the physical sciences · 2017-01-01

    P. Albers, David Lennon, Stewart F. Parker

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  33. Effect of strain on the performance of iron-based catalyst in Fischer-Tropsch synthesis

    Journal of Catalysis · 2018-01-04

    Yingying Xue, Hui Ge, Zheng Chen, Yongbiao Zhai, Juan Zhang, Jiaqiang Sun, Mohamed Abbas, Ke Li Lin, Wentao Zhao, Jiangang Chen

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  34. Alcohol promoted methanol synthesis enhanced by adsorption of water and dual catalysts

    Journal of CO2 Utilization · 2018-01-06

    Harri Nieminen, Georgy Givirovskiy, Арто Лаари, Tuomas Koiranen

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  35. Component ratio dependent Cu/Zn/Al structure sensitive catalyst in CO 2 /CO hydrogenation to methanol

    Molecular Catalysis · 2018-07-17

    Mohammad Javad Sadeghinia, Ali Nemati Kharat, Mehran Rezaei

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  36. Strong metal-oxide interactions induce bifunctional and structural effects for Cu catalysts

    Molecular Catalysis · 2018-08-24

    Yifeng Zhu, Xiao Le Kong, Hongyan Zheng, Yulei Zhu

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  37. The high pressure gas capabilities at Oak Ridge National Laboratory’s neutron facilities

    Review of Scientific Instruments · 2018-09-01

    A. M. dos Santos, Jamie J. Molaison, Bianca Haberl, Lakshmi Krishna, Katharine Lynn Page, M. J. Loguillo, Xiaoping P. Wang

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  38. Neutron Scattering Investigations of Hydride Species in Heterogeneous Catalysis

    ChemSusChem · 2018-11-05

    Felipe Polo‐Garzon, Si Luo, Yongqiang Q. Cheng, Katharine Lynn Page, Anibal Javier Ramirez-Cuesta, Phillip F. Britt, Zili Wu

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  39. Structure–Performance Relationships on Co-Based Fischer–Tropsch Synthesis Catalysts: The More Defect-Free, the Better

    ACS Catalysis · 2018-12-03

    Nikolaos E. Tsakoumis, Eleni Patanou, Sara Lögdberg, Rune E. Johnsen, Rune Myrstad, Wouter van Beek, Erling Rytter, Edd Anders Blekkan

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  40. Moving Frontiers in Transition Metal Catalysis: Synthesis, Characterization and Modeling

    Advanced Materials · 2019-02-25

    Dmitry I. Sharapa, Dmitry E. Doronkin, Felix Studt, Jan‐Dierk Grunwaldt, Silke S. Behrens

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  41. Growth and Termination Dynamics of Multiwalled Carbon Nanotubes at Near Ambient Pressure: An in Situ Transmission Electron Microscopy Study

    Nano Letters · 2019-08-01

    Xing Huang, Ramzi Farra, Robert Schlögl, Marc‐Georg Willinger

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  42. Operando Insights into Nanoparticle Transformations during Catalysis

    ACS Catalysis · 2019-08-30

    Arno Bergmann, Beatriz Roldán Cuenya

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  43. CO2 hydrogenation to methanol: the structure–activity relationships of different catalyst systems

    Energy Ecology and Environment · 2020-03-20

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  44. CO2 Hydrogenation with Cu/ZnO/Al2O3: A Benchmark Study

    ChemCatChem · 2020-03-20

    Holger Ruland, Huiqing Song, Daniel Laudenschleger, Sascha Stürmer, Stefan Schmidt, Jiayue He, Kevin Kähler, Martin Muhler, Robert Schlögl

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  45. Chemical Batteries with CO2

    Angewandte Chemie International Edition · 2020-08-20

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  46. Chemische Batterien mit CO2

    Angewandte Chemie · 2020-08-20

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  47. Inverse ZnO/Cu catalysts for methanol synthesis from CO2 hydrogenation

    Reaction Kinetics Mechanisms and Catalysis · 2021-01-08

    Guihui Wang, Fei Luo, Lili Lin, Fuzhen Zhao

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  48. Operando high-pressure investigation of size-controlled CuZn catalysts for the methanol synthesis reaction

    Nature Communications · 2021-03-04

    Núria J. Divins, David Kordus, Janis Timoshenko, Ilya V. Sinev, Ioannis Zegkinoglou, Arno Bergmann, See Wee Chee, Simon Widrinna, Osman Karslıoğlu, Hemma Mistry, Mauricio López Luna, Jian‐Qiang Zhong, Adam S. Hoffman, Alexey Boubnov, J. Anibal Boscoboinik, Marc Heggen, Rafal E. Dunin‐Borkowski, Simon R. Bare, Beatriz Roldán Cuenya

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  49. A Career in Catalysis: Robert Schlögl

    ACS Catalysis · 2021-05-10

    Xinhe Bao, Malte Behrens, G. Ertl, Qiang Fu, Axel Knop‐Gericke, Thomas Lunkenbein, Martin Muhler, Christoph M. Schmidt, Annette Trunschke

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  50. Operando Neutron Scattering: Following Reactions in Real Time Using Neutrons

    Topics in Catalysis · 2021-05-17

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