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There are 13252 results for: content related to: Density Functional Theory and Reaction Kinetics Studies of the Water–Gas Shift Reaction on Pt–Re Catalysts

  1. Chloroform Hydrodechlorination over Palladium–Gold Catalysts: A First-Principles DFT Study

    ChemCatChem

    Volume 8, Issue 9, May 9, 2016, Pages: 1739–1746, Lang Xu, Dr. Xiaoqian Yao, Ahmad Khan and Dr. Manos Mavrikakis

    Version of Record online : 20 APR 2016, DOI: 10.1002/cctc.201600144

  2. A Comprehensive Study of Formic Acid Oxidation on Palladium Nanocrystals with Different Types of Facets and Twin Defects

    ChemCatChem

    Volume 7, Issue 14, July 13, 2015, Pages: 2077–2084, Dr. Sang-Il Choi, Dr. Jeffrey A. Herron, Dr. Jessica Scaranto, Hongwen Huang, Yi Wang, Dr. Xiaohu Xia, Tian Lv, Jinho Park, Hsin-Chieh Peng, Prof. Manos Mavrikakis and Prof. Younan Xia

    Version of Record online : 13 APR 2015, DOI: 10.1002/cctc.201500094

  3. Design of Pt-Based Bimetallic Alloys for the Oxidation of H2O2: A Combined Computational and Experimental Approach

    ChemCatChem

    Volume 5, Issue 7, July 2013, Pages: 1709–1712, Mon-Che Tsai, John Rick and Prof. Bing-Joe Hwang 

    Version of Record online : 21 MAY 2013, DOI: 10.1002/cctc.201200816

  4. Methanol Oxidation Reaction on α-Tungsten Carbide Versus Platinum (1 1 1) Surfaces: A DFT Electrochemical Study

    ChemCatChem

    Volume 7, Issue 21, November 2, 2015, Pages: 3533–3543, Prof. Dr. Cristiana Di Valentin, Diego Fittipaldi and Prof. Dr. Gianfranco Pacchioni

    Version of Record online : 29 SEP 2015, DOI: 10.1002/cctc.201500646

  5. DFT Investigation on the Competition of the Water–Gas Shift Reaction Versus Methanation on Clean and Potassium-Modified Nickel(1 1 1) Surfaces

    ChemCatChem

    Volume 7, Issue 23, December 1, 2015, Pages: 3928–3935, Mingxia Zhou and Prof. Bin Liu

    Version of Record online : 4 NOV 2015, DOI: 10.1002/cctc.201500547

  6. Reaction Pathways of Biomass-Derived Oxygenates over Metals and Carbides: From Model Surfaces to Supported Catalysts

    ChemCatChem

    Volume 7, Issue 9, May 4, 2015, Pages: 1402–1421, Ke Xiong, Dr. Weiting Yu, Prof. Dr. Dionisios G. Vlachos and Prof. Dr. Jingguang G. Chen

    Version of Record online : 30 MAR 2015, DOI: 10.1002/cctc.201403067

  7. Tuning the Catalytic Selectivity of Copper Using TiO2: Water-Gas Shift versus CO Oxidation

    ChemCatChem

    Volume 5, Issue 12, December 2013, Pages: 3673–3679, Dr. Hyun You Kim and Dr. Ping Liu

    Version of Record online : 3 SEP 2013, DOI: 10.1002/cctc.201300449

  8. An Atomic Scale View of Methanol Reactivity at the Cu(1 1 1)/CuOx Interface

    ChemCatChem

    Volume 5, Issue 9, September 2013, Pages: 2684–2690, Timothy J. Lawton, Dr. Georgios Kyriakou, Dr. Ashleigh E. Baber and Prof. E. Charles H. Sykes

    Version of Record online : 6 MAR 2013, DOI: 10.1002/cctc.201200810

  9. Chain Growth by CO Insertion in the Fischer–Tropsch Reaction

    ChemCatChem

    Volume 5, Issue 11, November 2013, Pages: 3384–3397, Prof. Dr. Rutger A. van Santen and Dr. Albert J. Markvoort

    Version of Record online : 10 JUN 2013, DOI: 10.1002/cctc.201300173

  10. Formation of Propane in the Aqueous-Phase Processing of 1-Propanol over Platinum: A DFT Study

    ChemCatChem

    Volume 5, Issue 11, November 2013, Pages: 3299–3308, Cheng-chau Chiu, Dr. Alexander Genest and Prof. Dr. Dr. h. c. Notker Rösch

    Version of Record online : 19 JUL 2013, DOI: 10.1002/cctc.201300184

  11. Mechanistic Insight into Catalytic Oxidation of Ammonia on Clean, O- and OH-Assisted Ir(1 1 1) Surfaces

    ChemCatChem

    Volume 5, Issue 7, July 2013, Pages: 1832–1841, Dr. Xiaoqing Lu, Zhigang Deng, Ka-Shing Chau, Longfei Li, Zengqiang Wen, Prof. Dr. Wenyue Guo and Prof. Dr. Chi-Man Lawrence Wu

    Version of Record online : 25 FEB 2013, DOI: 10.1002/cctc.201200762

  12. Identification of Active Sites in a Realistic Model of Strong Metal–Support Interaction Catalysts: The Case of Platinum (1 1 1)-Supported Iron Oxide Film

    ChemCatChem

    Volume 6, Issue 1, January 2014, Pages: 185–190, Dr. Livia Giordano, Prof. Gianfranco Pacchioni, Dr. Claudine Noguera and Dr. Jacek Goniakowski

    Version of Record online : 17 OCT 2013, DOI: 10.1002/cctc.201300642

  13. Mechanistic Study of CO Titration on CuxO/Cu(1 1 1) (x≤2) Surfaces

    ChemCatChem

    Volume 6, Issue 8, August 2014, Pages: 2364–2372, Dr. Wei An, Dr. Ashleigh E. Baber, Fang Xu, Dr. Markus Soldemo, Prof. Dr. Jonas Weissenrieder, Dr. Dario Stacchiola and Dr. Ping Liu

    Version of Record online : 26 JUN 2014, DOI: 10.1002/cctc.201402177

  14. Potassium-Induced Effect on the Structure and Chemical Activity of the CuxO/Cu(1 1 1) (x ≤ 2) Surface: A Combined Scanning Tunneling Microscopy and Density Functional Theory Study

    ChemCatChem

    Volume 7, Issue 23, December 1, 2015, Pages: 3865–3872, Dr. Wei An, Fang Xu, Dr. Dario Stacchiola and Dr. Ping Liu

    Version of Record online : 16 NOV 2015, DOI: 10.1002/cctc.201500719

  15. When Outliers Make All The Difference

    ChemCatChem

    Volume 4, Issue 12, December 2012, Pages: 1887–1888, Dr. Lars C. Grabow

    Version of Record online : 17 SEP 2012, DOI: 10.1002/cctc.201200411

  16. Effect of Platinum Incorporation on the Energetics and Oxygen Chemisorption Properties of the Ni(1 1 1) Surface

    ChemCatChem

    Volume 4, Issue 12, December 2012, Pages: 2005–2012, Dr. Aslıhan Sümer and Prof. Dr. A. Erhan Aksoylu

    Version of Record online : 12 OCT 2012, DOI: 10.1002/cctc.201200271

  17. Functionalization of CeO2(1 1 1) by Deposition of Small Ni Clusters: Effects on CO2 Adsorption and O Vacancy Formation

    ChemCatChem

    Volume 7, Issue 4, February 2015, Pages: 625–634, Dr. Konstanze R. Hahn, Dr. Ari P. Seitsonen, Dr. Marcella Iannuzzi and Prof. Jürg Hutter

    Version of Record online : 23 JAN 2015, DOI: 10.1002/cctc.201402906

  18. 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

    ChemCatChem

    Volume 6, Issue 1, January 2014, Pages: 301–310, Dr. Qiongxiao Wu, Dr. Linus D. L. Duchstein, Dr. Gian Luca Chiarello, Assist. Prof. Jakob M. Christensen, Assist. Prof. Christian D. Damsgaard, Christian F. Elkjær, Prof. Jakob B. Wagner, Dr. Burcin Temel, Prof. Jan-Dierk Grunwaldt and Prof. Anker D. Jensen

    Version of Record online : 4 DEC 2013, DOI: 10.1002/cctc.201300628

  19. Selective Stereochemical Catalysis Controlled by Specific Atomic Arrangement of Ordered Alloys

    ChemCatChem

    Volume 7, Issue 21, November 2, 2015, Pages: 3472–3479, Dr. Shinya Furukawa, Kazuyoshi Ochi, Hui Luo, Masayoshi Miyazaki and Prof. Takayuki Komatsu

    Version of Record online : 26 OCT 2015, DOI: 10.1002/cctc.201500808

  20. DFT Study of Steam Reforming of Formaldehyde on Cu, PdZn, and Ir

    ChemCatChem

    Volume 4, Issue 9, September 2012, Pages: 1311–1320, Xiang Li and Prof. Kok Hwa Lim

    Version of Record online : 25 MAY 2012, DOI: 10.1002/cctc.201200028