Importance of metal-oxide interfaces in heterogeneous catalysis: A combined DFT, microkinetic, and experimental study of water-gas shift on Au/MgO

Journal of Catalysis

Volumn 345, Issue , 2017, Pages 157-169

  Zhao, Zhi Jian ^a,b   Li, Zhenglong ^b   Cui, Yanran ^b   Zhu, Houyu ^c   Schneider, William F ^c   Delgass, W Nicholas ^b   Ribeiro, Fabio ^b   Greeley, Jeffrey ^b  

^a TIANJIN UNIVERSITY   (China)

^b PURDUE UNIVERSITY   (United States)

^c University of Notre Dame   (United States)

Author keywords

Density Functional Theory; Dual functional catalysts; Gold; Kinetic modeling; Metal oxide interface; Nanocatalysis; Water gas shift

Indexed keywords

ACTIVATION ANALYSIS; CATALYSIS; CATALYSTS; CHEMICAL SHIFT; DENSITY FUNCTIONAL THEORY; FORECASTING; GOLD; INTERFACES (MATERIALS); ITERATIVE METHODS; KINETICS; METAL NANOPARTICLES; METALS; NANOPARTICLES; PHASE INTERFACES; PROCESSING; SUBSTRATES; TEMPERATURE;

COMPETITIVE ADSORPTION; KINETIC MEASUREMENT; KINETIC MODELING; METAL OXIDE INTERFACE; MICROKINETIC MODELING; NANOCATALYSIS; THERMODYNAMIC CONTROL; WATER GAS SHIFT (WGS) REACTION;

WATER GAS SHIFT;

EID: 85003944879     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2016.11.008     Document Type: Article

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