Decomposition of NH3 on Ir(110): A first-principle study

Surface Science

Volumn 605, Issue 7-8, 2011, Pages 802-807

  Xiao, Xiang Zhen ^a   Cao, Yi Lin ^a   Cai, Ying Ying ^a  

^a HENAN NORMAL UNIVERSITY   (China)

Author keywords

Density functional theory; Ir(110); NH3 decomposition; Transition state

Indexed keywords

ADSORPTION ENERGIES; ADSORPTION SITE; BOND FORMATION; DECOMPOSITION ANALYSIS; FIRST-PRINCIPLE STUDY; IR(110); NH3 DECOMPOSITION; PERIODIC DENSITY; RATE-LIMITING STEPS; REACTION ENERGY BARRIERS; SHORT BRIDGES; SURFACE SPECIES; TRANSITION STATE;

ACTIVATION ANALYSIS; ACTIVATION ENERGY; ADSORPTION; BINDING ENERGY; CHEMICAL BONDS; DEHYDROGENATION; ENERGY BARRIERS; IRIDIUM;

DENSITY FUNCTIONAL THEORY;

EID: 79952364046     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2011.01.023     Document Type: Article

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