Open AccessUnderstanding the adsorption of a benzotriazole derivative on Cu (111) surface: A DFT and MD investigation
Author(s) -
Lei Guo,
Xun Shen,
Yiman Ou,
XiaoHong Li,
Xingwen Zheng
Publication year - 2017
Publication title -
aip conference proceedings
Language(s) - English
Resource type - Conference proceedings
eISSN - 1551-7616
pISSN - 0094-243X
DOI - 10.1063/1.4971895
Subject(s) - benzotriazole , adsorption , copper , density functional theory , computational chemistry , molecular dynamics , derivative (finance) , charge density , materials science , chemical physics , surface (topology) , chemistry , inorganic chemistry , metallurgy , physics , mathematics , quantum mechanics , economics , financial economics , geometry
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