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Hydrogen Chemisorption on Supported Semiconductor Films
Author(s) -
Sun Qiang,
Xie Jianjun,
Zhang Tag
Publication year - 1994
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221850208
Subject(s) - chemisorption , semiconductor , hydrogen , materials science , density of states , condensed matter physics , metal , atomic physics , chemistry , optoelectronics , adsorption , metallurgy , physics , organic chemistry
Hydrogen chemisorption on metal supported semiconductor ZnO films is studied by using the Green function method and complex‐energy‐plane integration approach. The Anderson‐Newns model is used to calculate the chemisorption energy Δ E and the adatom charge transfer Δ q . The variations of the adatom state level E ad and the corresponding localized adatom density of states (LDOS) with increasing ZnO film thickness are investigated. It is found that the hydrogen chemisorption energy and the adatom charge transfer depend on both the thickness of the ZnO film and the species of the metal support. The calculations show that ten layers of ZnO film can mirror the chemisorption properties of bulk ZnO. The adatom state level E ad which corresponds to a peak in Ldos, is found shifting upwards to a constant value as the ZnO layer number N increases from 1 to 10.