虎门体育官方登录入口网:标题
虎门体育官方登录入口网:作者
作者:Huang, X (Huang, Xiang)[1,2,3 ]; Tian, RY (Tian, Ren-Yu)[1 ]; Yang, XB (Yang, Xiao-Bao)[1 ]; Zhao, YJ (Zhao, Yu-Jun)[1,2 ]
虎门体育官方登录入口网:期刊信息
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文献类型:Article
虎门体育官方登录入口网:摘要
We demonstrate that the competition between Pauli exclusion and H-bonding dominates the adsorption of H2O on silicene through first-principles calculations. It explains the bewildering problem that isolated H2O is inert on silicene isolated NH3 tends to chemisorption. Moreover, Pauli exclusion can tie overcome by the synergetic effect of Si center dot center dot center dot O dative, bonding and intermolecular H-bonding. As a result, H2O molecules are readily to chemisorb in clusters. It is expected that the competition is in general polar molecule adsorption on silicene and, thus, crucial for the adsorption mechanism.
虎门体育官方登录入口网:关键词
KeyWords Plus:AB-INITIO; ADSORPTION; OXIDATION; SURFACE; TRIMETHYLAMINE; DISSOCIATION; MOLECULES; NO
虎门体育官方登录入口网:作者信息
通讯作者地址:Zhao, YJ (通讯作者)
 | South China Univ Technol, Dept Phys, Guangzhou 510640, Guangdong, Peoples R China. |
| South China Univ Technol, Key Lab Adv Energy Storage Mat Guangdong Prov, Guangzhou 510640, Guangdong, Peoples R China. |
地址:
电子邮件地址:zhaoyj@scut.edu.cn
虎门体育官方登录入口网:出版商
虎门体育官方登录入口网:类别分类
研究方向:Chemistry; Science & Technology - Other Topics; Materials Science
Web of Science 类别:Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary