Active oxygen vacancy site for methanol synthesis from CO2 hydrogenation on In2O3(110): A DFT study

ACS Catalysis

Volumn 3, Issue 6, 2013, Pages 1296-1306

  Ye, Jingyun ^a,b   Liu, Changjun ^a   Mei, Donghai ^c   Ge, Qingfeng ^a,b  

^a TIANJIN UNIVERSITY   (China)

^b SOUTHERN ILLINOIS UNIVERSITY   (United States)

^c PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

density functional theory; methanol synthesis; oxygen vacancy

Indexed keywords

CARBON DIOXIDE; CHEMICAL ACTIVATION; DENSITY FUNCTIONAL THEORY; HYDROGENATION; IONIZATION OF GASES; METHANOL; OXYGEN VACANCIES; SYNTHESIS GAS MANUFACTURE;

ACTIVATION BARRIERS; CO2 HYDROGENATION; METHANOL SYNTHESIS; OXYGEN VACANCY FORMATION ENERGIES; PERIODIC DENSITY FUNCTIONAL THEORY CALCULATIONS; RATE-LIMITING STEPS; RELATIVE STABILITIES; SURFACE OXYGEN VACANCIES;

INDIUM COMPOUNDS;

EID: 84879181073     PISSN: 21555435     EISSN: None     Source Type: Journal    
DOI: 10.1021/cs400132a     Document Type: Article

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