Surface morphology of Hägg iron carbide (χ-Fe 5C 2) from ab initio atomistic thermodynamics

Journal of Catalysis

Volumn 294, Issue , 2012, Pages 47-53

  Zhao, Shu ^a   Liu, Xing Wu ^a   Huo, Chun Fang ^a   Li, Yong Wang ^a   Wang, Jianguo ^a   Jiao, Haijun ^a,b  

^a INSTITUTE OF COAL CHEMISTRY   (China)

^b UNIVERSITY OF ROSTOCK   (Germany)

Author keywords

Ab initio atomistic thermodynamics; Carbon chemical potential; Fischer Tropsch synthesis; H gg carbide; Surface free energy; Surface morphology

Indexed keywords

AB INITIO; ATOMISTIC THERMODYNAMICS; CARBON RICH; CATALYST ACTIVATION; HIGH ACTIVITY; INITIAL ACTIVITY; IRON CARBIDES; LOW PRESSURES; LOW TEMPERATURES; PRE-TREATMENT; PRE-TREATMENTS; PRETREATMENT CONDITIONS; SURFACE CARBON; SURFACE FREE ENERGY;

CARBIDES; CATALYST ACTIVITY; CHEMICAL POTENTIAL; FISCHER-TROPSCH SYNTHESIS; FREE ENERGY; SURFACE MORPHOLOGY; SYNTHESIS GAS; THERMODYNAMICS;

CARBON;

EID: 84865781627     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2012.07.003     Document Type: Article

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