NH3/Ir(100): Electronic structure and dehydrogenation

International Journal of Hydrogen Energy

Volumn 38, Issue 7, 2013, Pages 2965-2972

  Zhang, Yimin ^a   Xiao, Xiangzhen ^a   Cao, Yilin ^a   Cai, Yingying ^a   Wang, Jingjing ^a  

^a HENAN NORMAL UNIVERSITY   (China)

Author keywords

Density functional theory; Electronic structure; NH3 Ir(100); Transition state

Indexed keywords

ADSORPTION ENERGIES; BOND SCISSIONS; BREAKINGS; HOLLOW SITES; NH3/IR(100); RATE DETERMINING STEP; REACTION BARRIERS; STABLE SURFACES; TRANSITION STATE;

ADSORPTION; DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; DESORPTION; ELECTRONIC STRUCTURE;

IRIDIUM;

EID: 84873710281     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2012.12.080     Document Type: Article

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