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Theoretical studies on adsorption and diffusion of hydrogen atom on Pd(311) and Ni(311) stepped surface
Author(s) -
Wang ZeXin,
Zhang XiaoMing,
Yu ShuaiQin
Publication year - 2004
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.20040220809
Subject(s) - chemistry , adsorption , diffusion , hydrogen atom , hydrogen , morse potential , atom (system on chip) , morse code , chemical physics , surface (topology) , computational chemistry , thermodynamics , atomic physics , organic chemistry , geometry , group (periodic table) , physics , computer science , electrical engineering , embedded system , engineering , mathematics
Abstract The adsorption and diffusion of hydrogen atom on open rough Pd(311) and Ni(311) stepped surface were investigated in detail using 5‐parameter Morse Potential (5‐MP for short) method. The results on theoretical studies indicate that only threefold adsorption states exist at low coverage, and fourfold states are annihilated on the top layer which become the diffusion channels between threefold adsorption states due to strong competition and repulsion between hydrogen adatoms.