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RESEARCH PAPER · ACS Catalysis · 2017

The Impact of the Bulk Structure on Surface Dynamics of Complex Mo–V-based Oxide Catalysts

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The Impact of the Bulk Structure on Surface Dynamics of Complex Mo–V-based Oxide CatalystsOriginalA combined experimental and theoretical spectroscopic protocol for determination of the structure of heterogeneous catalysts: developing the information content of the resonance Raman spectra of M1 MoVO x16Structural Complexity in Heterogeneous Catalysis: Cataloging Local Nanostructures28The evolution of the M1 local structure during preparation of VMoNbTeO catalysts for ethane oxidative dehydrogenation to ethylene33Unit Synthesis Approach for Creating High Dimensionally Structured Complex Metal Oxides as Catalysts for Selective Oxidations36Influence of Tight Confinement on Selective Oxidative Dehydrogenation of Ethane on MoVTeNb Mixed Oxides82A quasi in situ TEM grid reactor for decoupling catalytic gas phase reactions and analysis17MnO promoted phase-pure M1 MoVNbTe oxide for ethane oxidative dehydrogenation17Pathways, mechanisms, and kinetics: a strategy to examine byproduct selectivity in partial oxidation catalytic transformations on reducible oxides29Single-Site Vanadyl Species Isolated within Molybdenum Oxide Monolayers in Propane Oxidation40NAP-XPS and in situ XRD study of the stability of Bi-modified MoVNbTeO catalysts for oxidative dehydrogenation of ethane30Electronic and Dielectric Properties of MoV-Oxide (M1 Phase) under Alkane Oxidation Conditions28Effect of Selenium Additives on the Physicochemical and Catalytic Properties of VMoTeNbO Catalysts in the Oxidative Dehydrogenation of Ethane9Thermal Behavior, Crystal Structure, and Solid-State Transformation of Orthorhombic Mo–V Oxide under Nitrogen Flow or in Air18High dimensionally structured W-V oxides as highly effective catalysts for selective oxidation of toluene10Effects of Lattice O Atom Coordination and Pore Confinement on Selectivity Limitations for Ethane Oxidative Dehydrogenation Catalyzed by Vanadium-Oxo Species41Modulating Lattice Oxygen in Dual-Functional Mo–V–O Mixed Oxides for Chemical Looping Oxidative Dehydrogenation208Site specific and localized structural displacements in open structured multimetallic oxides12Comparison of structural and catalytic properties of monometallic Mo and V oxides and M1 phase mixed oxides for oxidative dehydrogenation25Present and new frontiers in materials research by ambient pressure x-ray photoelectron spectroscopy85Surface Conditions That Constrain Alkane Oxidation on Perovskites75On the Promoting Effects of Te and Nb in the Activity and Selectivity of M1 MoV-Oxides for Ethane Oxidative Dehydrogenation17How TeO Defects in the MoVNbTeO Catalyst Material Affect the V4+ Distribution: A Computational Study9Compositional Decoupling of Bulk and Surface in Open-Structured Complex Mixed Oxides9Configurations of V4+ centers in the MoVO catalyst material. A systematic stability analysis of DFT results2Roles of Enhancement of C−H Activation and Diminution of C−O Formation Within M1‐Phase Pores in Propane Selective Oxidation17Tuning surface V5+ concentration in M1 phase MoVSbOx catalysts for ethylene production from ethane through oxidative dehydrogenation reaction26Probing the Positions of TeO Moieties in the Channels of the MoVNbTeO M1 Catalyst: A Density Functional Theory Model Study7Materials Genes of Heterogeneous Catalysis from Clean Experiments and Artificial Intelligence0Exsolution Catalysts—Increasing Metal Efficiency3Chemical Imaging of Mixed Metal Oxide Catalysts for Propylene Oxidation: From Model Binary Systems to Complex Multicomponent Systems13A Career in Catalysis: Robert Schlögl4Mo–V–O nanocrystals synthesized in the confined space of a mesoporous carbon7Materials genes of heterogeneous catalysis from clean experiments and artificial intelligence69Towards automation of operando experiments: A case study in contactless conductivity measurements1Decoding Complexity in Structure-Sensitive Reactions1Multiscale Models in Heterogeneous Catalysis: Incorporating Dynamics into Reaction Kinetics1Catalysis Chemistry of Crystalline Complex Metal Oxide Catalysts0Determination of Highly Active and Selective Surface for the Oxidative Dehydrogenation of Ethane Over Phase-Pure M1 Movnbteox Catalyst15H 2 O and CO 2 surface contamination of the lithium garnet Li 7 La 3 Zr 2 O 12 solid electrolyte23Mo-V-Based Crystalline Complex Metal Oxide Catalysts4Towards automation of operando experiments: a case study in contactless conductivity measurements14Learning Design Rules for Selective Oxidation Catalysts from High-Throughput Experimentation and Artificial Intelligence54Advanced Kinetic Characterization0Advanced Kinetic Characterization0Te-doped MoV-Oxide (M1 phase) for ethane ODH. The role of tellurium on morphology, thermal stability and catalytic behaviour9A Dft-Based Mechanistic Analysis for the M1 Surface of the Movnbteo Catalyst During the Production of Ethylene and Water Via the Selective Oxidation of Ethane0STEM High Angle Annular Dark-Field Imaging6Tuning catalysis by surface-deposition of elements on oxidation catalysts via atomic layer deposition3State-of-the-Art Review of Oxidative Dehydrogenation of Ethane to Ethylene over MoVNbTeOx Catalysts49Data-Centric Heterogeneous Catalysis: Identifying Rules and Materials Genes of Alkane Selective Oxidation48Niobium Insertion into αII-VOPO4: Tuning the Catalytic Properties for Selective Oxidation13On the selectivity to ethylene during ethane ODH over M1-based catalysts. A surface and electrochemical study16Microporous exposure on catalytic performance of MoVNbTeOx mixed metal oxides in the oxidative dehydrogenation of ethane18Concepts of Methane Activation0Enhancing catalytic activity of zeolitic octahedral metal oxides through zinc incorporation for ethane oxidative dehydrogenation14Operando Electron Microscopy of Catalysts: The Missing Cornerstone in Heterogeneous Catalysis Research?127Oxidation Catalysis of Crystalline Mo3VOx for the Selective Oxidation of Ethane13Synthesis and Characterization of Bronze-Type Mixed Oxides for the Selective Activation of Hydrocarbons0Linking Bulk and Surface Structures in Complex Mixed Oxides7Energy Maps of Complex Catalyst Surfaces1Quantum Chemical Modeling of the Full Catalytic Cycle for Selective Oxidation of Propane to Propene on the M1 Phase of Mo–Te–Nb–O Mixed-Metal Oxide Catalysts1Effects of Local Structural Changes of Orthorhombic Mo3VOx Induced by High-Temperature Heat Treatment on Catalytic Ammoxidation of Propane6Influence of Dopants on Pt/Al2O3-Based Monolithic Catalysts for Autothermal Oxidative Coupling of Methane2Multiscale analysis of the M1 MoVNbTeO catalyst for ethylene production via selective ethane oxidation: From atomistic calculations to the industrial reactor5Selective oxidation of propane to acrylic acid: a critical review1Oxidative dehydrogenation of ethane (ODHE) to ethylene by bulk MoVNbTe mixed oxide M1 phase catalysts12Probe of nanocatalysts in-action by ambient pressure photoelectron spectroscopy3Understanding the Selectivity of Selective Oxidation of Propane to Acrylic Acid on a Mo–Te–Nb–O M1 Catalyst Using Density Functional Theory0Two-stage process combining N2O decomposition and ethane ODH over a MoVTeNbO-M1 catalyst0

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  1. A combined experimental and theoretical spectroscopic protocol for determination of the structure of heterogeneous catalysts: developing the information content of the resonance Raman spectra of M1 MoVO x

    Chemical Science · 2017-01-01

    Adam Kubas, Noack Johannes, Annette Trunschke, Robert Schlögl, Frank Neese, Dimitrios Maganas

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  2. Structural Complexity in Heterogeneous Catalysis: Cataloging Local Nanostructures

    The Journal of Physical Chemistry C · 2017-10-10

    Liudmyla Masliuk, Marc Heggen, Johannes Noack, Frank Girgsdies, Annette Trunschke, Klaus Hermann, Marc‐Georg Willinger, Robert Schlögl, Thomas Lunkenbein

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  3. The evolution of the M1 local structure during preparation of VMoNbTeO catalysts for ethane oxidative dehydrogenation to ethylene

    RSC Advances · 2018-01-01

    Tatyana Yu. Kardash, Evgeniya V. Lazareva, Dmitry A. Svintsitskiy, А. В. Ищенко, Valentina M. Bondareva, Reinhard B. Neder

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  4. Unit Synthesis Approach for Creating High Dimensionally Structured Complex Metal Oxides as Catalysts for Selective Oxidations

    ACS Catalysis · 2018-02-23

    Satoshi Ishikawa, Zhenxin Zhang, Wataru Ueda

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  5. Influence of Tight Confinement on Selective Oxidative Dehydrogenation of Ethane on MoVTeNb Mixed Oxides

    ACS Catalysis · 2018-07-05

    Leelavathi Annamalai, Yilang Liu, Sopuruchukwu Ezenwa, Yanliu Dang, Steven L. Suib, Prashant Deshlahra

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  6. A quasi in situ TEM grid reactor for decoupling catalytic gas phase reactions and analysis

    Ultramicroscopy · 2018-09-05

    Liudmyla Masliuk, Manfred Swoboda, Gerardo Algara‐Siller, Robert Schlögl, Thomas Lunkenbein

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  7. MnO promoted phase-pure M1 MoVNbTe oxide for ethane oxidative dehydrogenation

    Journal of the Taiwan Institute of Chemical Engineers · 2018-11-13

    Xin Chen, Dan Dang, Hang An, Bozhao Chu, Yi Cheng

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  8. Pathways, mechanisms, and kinetics: a strategy to examine byproduct selectivity in partial oxidation catalytic transformations on reducible oxides

    Reaction Chemistry & Engineering · 2019-01-01

    Jacob H. Miller, Linh H. T. Bui, Aditya Bhan

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  9. Single-Site Vanadyl Species Isolated within Molybdenum Oxide Monolayers in Propane Oxidation

    ACS Catalysis · 2019-04-18

    Teng Fu, Yuanqing Wang, Anna Maria Wernbacher, Robert Schlögl, Annette Trunschke

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  10. NAP-XPS and in situ XRD study of the stability of Bi-modified MoVNbTeO catalysts for oxidative dehydrogenation of ethane

    Applied Catalysis A General · 2019-04-22

    Dmitry A. Svintsitskiy, Tatyana Yu. Kardash, Evgeniya V. Lazareva, Аndrey А. Saraev, Elizaveta A. Derevyannikova, Mykhailo Vorokhta, Břetislav Šmíd, Valentina M. Bondareva

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  11. Electronic and Dielectric Properties of MoV-Oxide (M1 Phase) under Alkane Oxidation Conditions

    The Journal of Physical Chemistry C · 2019-04-29

    Anna Maria Wernbacher, Pierre Kube, Michael Hävecker, Robert Schlögl, Annette Trunschke

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  12. Effect of Selenium Additives on the Physicochemical and Catalytic Properties of VMoTeNbO Catalysts in the Oxidative Dehydrogenation of Ethane

    Kinetics and Catalysis · 2019-05-01

    Tatyana Yu. Kardash, Evgeniya V. Lazareva, Dmitry A. Svintsitskiy, E.P. Kovalev, Valentina M. Bondareva

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  13. Thermal Behavior, Crystal Structure, and Solid-State Transformation of Orthorhombic Mo–V Oxide under Nitrogen Flow or in Air

    ACS Omega · 2019-08-06

    Masahiro Sadakane, Katsunori Kodato, Nobuhiro Yasuda, Satoshi Ishikawa, Wataru Ueda

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  14. High dimensionally structured W-V oxides as highly effective catalysts for selective oxidation of toluene

    Catalysis Today · 2019-08-16

    Toru Murayama, Satoshi Ishikawa, Norihito Hiyoshi, Yoshinori Goto, Zhenxin Zhang, Takashi Toyao, Ken‐ichi Shimizu, Shutoku Lee, Wataru Ueda

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  15. Effects of Lattice O Atom Coordination and Pore Confinement on Selectivity Limitations for Ethane Oxidative Dehydrogenation Catalyzed by Vanadium-Oxo Species

    The Journal of Physical Chemistry C · 2019-11-08

    Yilang Liu, Leelavathi Annamalai, Prashant Deshlahra

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  16. Modulating Lattice Oxygen in Dual-Functional Mo–V–O Mixed Oxides for Chemical Looping Oxidative Dehydrogenation

    Journal of the American Chemical Society · 2019-11-08

    Sai Chen, Liang Zeng, Rentao Mu, Chuanye Xiong, Zhi‐Jian Zhao, Chengjie Zhao, Chunlei Pei, Luming Peng, Jun Luo, Liang‐Shih Fan, Jinlong Gong

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  17. Site specific and localized structural displacements in open structured multimetallic oxides

    Nanoscale · 2020-01-01

    Thomas Lunkenbein, Liudmyla Masliuk, Milivoj Plodinec, Gerardo Algara‐Siller, Sabrina Jung, Mateusz Jastak, Pierre Kube, Annette Trunschke, Robert Schlögl

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  18. Comparison of structural and catalytic properties of monometallic Mo and V oxides and M1 phase mixed oxides for oxidative dehydrogenation

    Catalysis Today · 2020-04-27

    Leelavathi Annamalai, Sopuruchukwu Ezenwa, Yanliu Dang, Haiyan Tan, Steven L. Suib, Prashant Deshlahra

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  19. Present and new frontiers in materials research by ambient pressure x-ray photoelectron spectroscopy

    Journal of Physics Condensed Matter · 2020-05-21

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  20. Surface Conditions That Constrain Alkane Oxidation on Perovskites

    ACS Catalysis · 2020-05-29

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  21. On the Promoting Effects of Te and Nb in the Activity and Selectivity of M1 MoV-Oxides for Ethane Oxidative Dehydrogenation

    Topics in Catalysis · 2020-07-08

    Daniel Melzer, Gerhard Mestl, Klaus M. A. Wanninger, Andreas Jentys, Maricruz Sanchez‐Sanchez, Johannes A. Lercher

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  22. How TeO Defects in the MoVNbTeO Catalyst Material Affect the V4+ Distribution: A Computational Study

    The Journal of Physical Chemistry C · 2020-08-14

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  23. Compositional Decoupling of Bulk and Surface in Open-Structured Complex Mixed Oxides

    The Journal of Physical Chemistry C · 2020-10-13

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  24. Configurations of V4+ centers in the MoVO catalyst material. A systematic stability analysis of DFT results

    SN Applied Sciences · 2020-10-28

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  25. Roles of Enhancement of C−H Activation and Diminution of C−O Formation Within M1‐Phase Pores in Propane Selective Oxidation

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  26. Tuning surface V5+ concentration in M1 phase MoVSbOx catalysts for ethylene production from ethane through oxidative dehydrogenation reaction

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  27. Probing the Positions of TeO Moieties in the Channels of the MoVNbTeO M1 Catalyst: A Density Functional Theory Model Study

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  28. Materials Genes of Heterogeneous Catalysis from Clean Experiments and Artificial Intelligence

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  29. Exsolution Catalysts—Increasing Metal Efficiency

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  30. Chemical Imaging of Mixed Metal Oxide Catalysts for Propylene Oxidation: From Model Binary Systems to Complex Multicomponent Systems

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  31. A Career in Catalysis: Robert Schlögl

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  32. Mo–V–O nanocrystals synthesized in the confined space of a mesoporous carbon

    Applied Catalysis A General · 2021-07-24

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  33. Materials genes of heterogeneous catalysis from clean experiments and artificial intelligence

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  34. Towards automation of operando experiments: A case study in contactless conductivity measurements

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  35. Decoding Complexity in Structure-Sensitive Reactions

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  36. Multiscale Models in Heterogeneous Catalysis: Incorporating Dynamics into Reaction Kinetics

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  37. Catalysis Chemistry of Crystalline Complex Metal Oxide Catalysts

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  38. Determination of Highly Active and Selective Surface for the Oxidative Dehydrogenation of Ethane Over Phase-Pure M1 Movnbteox Catalyst

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  39. H 2 O and CO 2 surface contamination of the lithium garnet Li 7 La 3 Zr 2 O 12 solid electrolyte

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  40. Mo-V-Based Crystalline Complex Metal Oxide Catalysts

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  41. Towards automation of operando experiments: a case study in contactless conductivity measurements

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  42. Learning Design Rules for Selective Oxidation Catalysts from High-Throughput Experimentation and Artificial Intelligence

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  43. Advanced Kinetic Characterization

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  44. Advanced Kinetic Characterization

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  45. Te-doped MoV-Oxide (M1 phase) for ethane ODH. The role of tellurium on morphology, thermal stability and catalytic behaviour

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  46. A Dft-Based Mechanistic Analysis for the M1 Surface of the Movnbteo Catalyst During the Production of Ethylene and Water Via the Selective Oxidation of Ethane

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  47. STEM High Angle Annular Dark-Field Imaging

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  48. Tuning catalysis by surface-deposition of elements on oxidation catalysts via atomic layer deposition

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  49. State-of-the-Art Review of Oxidative Dehydrogenation of Ethane to Ethylene over MoVNbTeOx Catalysts

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  50. Data-Centric Heterogeneous Catalysis: Identifying Rules and Materials Genes of Alkane Selective Oxidation

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