Linear scaling of charge transfer versus work function of Ammonia chemisorption on X-metal (X = Ag, Au, Pd, and Pt) surface

Guang Wu,Wang-Ping Xu,Hua-Mei Zuo,Xiao-Lin Wei,Jue-Xian Cao

Computational Materials Science（2023）

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摘要

•Pt metal can act as a good NH3-sensitive material.•NH3 molecules and noble metals excellently satisfy the specific adsorption rules.•Work functions of metal substrates correlate linearly with NH3 charge transfers.

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关键词

Charge transfer,Work function,NH3-sensitive materials,First principles

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