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Catalysis Today

Volumn 165, Issue 1, 2011, Pages 80-88

Density functional theory investigations on the catalytic mechanisms of hydrazine decompositions on Ir(1 1 1)

(6) Zhang, Ping Xia a Wang, Yang Gang a Huang, Yan Qiang b Zhang, Tao b Wu, Guo Shi a Li, Jun a

a TSINGHUA UNIVERSITY (China)

b DALIAN INSTITUTE OF CHEMICAL PHYSICS (China)

Author keywords

Decomposition mechanism; DFT calculations; Hydrazine; N N cleavage

Indexed keywords

ACTIVATION BARRIERS; ADSORPTION CHARACTERISTIC; CATALYTIC MECHANISMS; COMPUTATIONAL MODELING; DECOMPOSITION MECHANISM; DECOMPOSITION OF HYDRAZINE; DFT CALCULATION; ELEMENTARY STEPS; GEOMETRICAL STRUCTURE; HYDRAZINE DECOMPOSITION; N-N CLEAVAGE; OVERALL REACTIONS; PERIODIC DENSITY FUNCTIONAL THEORY; RADICAL REACTIONS; RATE DETERMINING STEP; REACTION CHANNELS; REACTION MECHANISM; REACTION PATHWAYS; SLAB MODEL; STEP-BY-STEP; THERMAL DECOMPOSITIONS; TRANSITION STATE;

ACTIVATION ENERGY; ADSORPTION; CATALYSTS; DENSITY FUNCTIONAL THEORY; ENERGY BARRIERS; IRIDIUM; PYROLYSIS; REACTION KINETICS;

HYDRAZINE;

EID: 79955468110 PISSN: 09205861 EISSN: None Source Type: Journal
DOI: 10.1016/j.cattod.2011.01.012 Document Type: Conference Paper

Times cited : (94)

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