First-principles calculations of ammonia decomposition on Ni(110) surface

Surface Science

Volumn 606, Issue 3-4, 2012, Pages 549-553

  Duan, Xuezhi ^a   Qian, Gang ^a   Fan, Chen ^a   Zhu, Yian ^a   Zhou, Xinggui ^a   Chen, De ^b   Yuan, Weikang ^a  

^a EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b NORWEGIAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Norway)

Author keywords

Ammonia decomposition; Density functional theory; Kinetic analysis; Ni catalysts; Structure sensitivity

Indexed keywords

AMMONIA DECOMPOSITION; DENSITY FUNCTIONALS; KINETIC ANALYSIS; NI CATALYSTS; STRUCTURE SENSITIVITY;

ACTIVATION ENERGY; ADSORPTION; AMMONIA; CALCULATIONS; CATALYSTS; DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; DESORPTION;

RATE CONSTANTS;

EID: 84855463676     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2011.11.030     Document Type: Article

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