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

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

(2020) Juan Manuel Arce-Ramos et al.   Journal of Physical Chemistry C

Design and synthesis of highly active MoVTeNb-oxides for ethane oxidative dehydrogenation

(2019) Daniel Melzer et al.   Nature Communications

How the distribution of reduced vanadium centers affects structure and stability of the MoVOx material

(2018) Wenqing Li et al.   Catalysis Science & Technology

DFT Variants for Mixed-Metal Oxides. Benchmarks Using Multi-Center Cluster Models

(2018) Graham Rugg et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

(2018) Xin Chen et al.   Journal of the Taiwan Institute of Chemical Engineers

Formation of Oxygen Radical Sites on MoVNbTeOx by Cooperative Electron Redistribution

(2017) Yuanyuan Zhu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2017) Annette Trunschke et al.   ACS Catalysis

Evaluation of density functionals for elementary steps of selective oxidation reactions

(2017) Shrabani Dinda et al.   Computational and Theoretical Chemistry

Characterization of MoVTeNbOx Catalysts during Oxidation Reactions Using In Situ/Operando Techniques: A Review

(2017) Soe Lwin et al.   Catalysts

New Trends in Olefin Production

(2017) Ismaël Amghizar et al.   Engineering

Atomic-Scale Determination of Active Facets on the MoVTeNb Oxide M1 Phase and Their Intrinsic Catalytic Activity for Ethane Oxidative Dehydrogenation

(2016) Daniel Melzer et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Mechanism of Alkane Selective Oxidation by the M1 Phase of Mo–V–Nb–Te Mixed Metal Oxides: Suggestions for Improved Catalysts

(2016) Mu-Jeng Cheng et al.   TOPICS IN CATALYSIS

In Situ Environmental STEM Study of the MoVTe Oxide M1 Phase Catalysts for Ethane Oxidative Dehydrogenation

(2016) Mimoun Aouine et al.   ACS Catalysis

Direct Imaging of Octahedral Distortion in a Complex Molybdenum Vanadium Mixed Oxide

(2015) Thomas Lunkenbein et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structure and electronic properties of MoVO type mixed-metal oxides – a combined view by experiment and theory

(2015) Cheng-chau Chiu et al.   DALTON TRANSACTIONS

Site isolation and phase cooperation: Two important concepts in selective oxidation catalysis: A retrospective

(2014) Robert K. Grasselli   CATALYSIS TODAY

CRYSTAL14: A program for theab initioinvestigation of crystalline solids

(2014) Roberto Dovesi et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

The reaction network in propane oxidation over phase-pure MoVTeNb M1 oxide catalysts

(2014) Raoul Naumann d’Alnoncourt et al.   JOURNAL OF CATALYSIS

Influence of the Content and Distribution of Vanadium in the M1 Phase of the MoVTe(Sb)NbO Catalysts on their Catalytic Properties in Light Alkanes Oxidation

(2014) Thi Thao Nguyen et al.   TOPICS IN CATALYSIS

Catalytic Consequences of a Revised Distribution of Key Elements at the Active Centers of the M1 Phase of the MoVNbTeOx System

(2014) Robert K. Grasselli et al.   TOPICS IN CATALYSIS

Pseudo-Jahn–Teller Effect—A Two-State Paradigm in Formation, Deformation, and Transformation of Molecular Systems and Solids

(2013) Isaac B. Bersuker   CHEMICAL REVIEWS

Vanadium Distribution in Four-Component Mo-V-Te-Nb Mixed-Oxide Catalysts from First Principles: How to Explore the Numerous Configurations?

(2012) Gang Fu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Surface chemistry of phase-pure M1 MoVTeNb oxide during operation in selective oxidation of propane to acrylic acid

(2011) Michael Hävecker et al.   JOURNAL OF CATALYSIS

Choice of U for DFT+U Calculations for Titanium Oxides

(2011) Zhenpeng Hu et al.   Journal of Physical Chemistry C

On the Role of the Vanadium Distribution in MoVTeNbO x Mixed Oxides for the Selective Catalytic Oxidation of Propane

(2011) F. N. Naraschewski et al.   TOPICS IN CATALYSIS

Towards an Understanding of the Reaction Pathways in Propane Ammoxidation Based on the Distribution of Elements at the Active Centers of the M1 Phase of the MoV(Nb,Ta)TeO System

(2011) R. K. Grasselli et al.   TOPICS IN CATALYSIS

Improvement of the Structural Model for the M1 Phase Mo–V–Nb–Te–O Propane (Amm)oxidation Catalyst

(2011) Xin Li et al.   TOPICS IN CATALYSIS

Adsorption of Propane, Isopropyl, and Hydrogen on Cluster Models of the M1 Phase of Mo−V−Te−Nb−O Mixed Metal Oxide Catalyst

(2010) Agalya Govindasamy et al.   Journal of Physical Chemistry C

Synthesis of Orthorhombic Mo-V-Sb Oxide Species by Assembly of Pentagonal Mo6O21Polyoxometalate Building Blocks

(2009) Masahiro Sadakane et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Direct Imaging of the MoVTeNbO M1 Phase Using An Aberration-Corrected High-Resolution Scanning Transmission Electron Microscope

(2008) William D. Pyrz et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Preparation of Phase-Pure M1 MoVTeNb Oxide Catalysts by Hydrothermal Synthesis—Influence of Reaction Parameters on Structure and Morphology

(2008) A. Celaya Sanfiz et al.   TOPICS IN CATALYSIS