Ausgabe 7-8/2020
Catalytic Encounters at the Molecular Level: In Honor of Manos Mavrikakis, recipient of the 2019 Gabor Somorjai Award for Creative Research in Catalysis. Editors: Ye Xu, Lars C. Grabow
Inhalt (14 Artikel)
PdCu Single Atom Alloys for the Selective Oxidation of Methanol to Methyl Formate at Low Temperatures
Junjun Shan, Georgios Giannakakis, Jilei Liu, Sufeng Cao, Mengyao Ouyang, Mengwei Li, Sungsik Lee, Maria Flytzani-Stephanopoulos
Integrating the Fields of Catalysis: Active Site Engineering in Metal Cluster, Metal Organic Framework and Metal Single Site
Zhiyuan Qi, Luning Chen, Shuchen Zhang, Ji Su, Gabor A. Somorjai
The Challenge of CO Hydrogenation to Methanol: Fundamental Limitations Imposed by Linear Scaling Relations
Ahmed O. Elnabawy, Julia Schumann, Pallavi Bothra, Ang Cao, Jens K. Nørskov
Rational Design of Mixed Solvent Systems for Acid-Catalyzed Biomass Conversion Processes Using a Combined Experimental, Molecular Dynamics and Machine Learning Approach
Theodore W. Walker, Alex K. Chew, Reid C. Van Lehn, James A. Dumesic, George W. Huber
Aqueous Synthesis of Pd–M (M = Pd, Pt, and Au) Decahedra with Concave Facets for Catalytic Applications
Hongwen Huang, Ruhui Chen, Maochang Liu, Jinguo Wang, Moon J. Kim, Zhizhen Ye, Younan Xia
Catalysis at Metal/Oxide Interfaces: Density Functional Theory and Microkinetic Modeling of Water Gas Shift at Pt/MgO Boundaries
Pushkar Ghanekar, Joseph Kubal, Yanran Cui, Garrett Mitchell, W. Nicholas Delgass, Fabio Ribeiro, Jeffrey Greeley
A DFT Investigation of the Dehydrogenation of Tetrahydropyrrole on Pt(111)
Srinivas Rangarajan, Huijie Tian
Effect of Tin in the Bulk of Platinum–Tin Alloys for Ethane Dehydrogenation
Jinwoong Nam, Fuat E. Celik
Hydrogen Adsorption on Ordered and Disordered Pt-Ni Alloys
Shengjie Zhang, Duane D. Johnson, William A. Shelton, Ye Xu
Extendable Machine Learning Model for the Stability of Single Atom Alloys
Karun K. Rao, Quan K. Do, Khoa Pham, Debtanu Maiti, Lars C. Grabow
Platinum and Palladium Monolayer Electrocatalysts for Formic Acid Oxidation
Zhixiu Liang, Liang Song, Ahmed O. Elnabawy, Nebojsa Marinkovic, Manos Mavrikakis, Radoslav R. Adzic
Pd3Ag(111) as a Model System for Hydrogen Separation Membranes: Combined Effects of CO Adsorption and Surface Termination on the Activation of Molecular Hydrogen
Ingeborg-Helene Svenum, Jeffrey A. Herron, Manos Mavrikakis, Hilde J. Venvik
Chloroform Hydrodechlorination on Palladium Surfaces: A Comparative DFT Study on Pd(111), Pd(100), and Pd(211)
Lang Xu, Saurabh Bhandari, Jiming Chen, Jonathan Glasgow, Manos Mavrikakis