| 标题 |
First principle studies for CO, O2 on Au55 cluster
Au55团簇中CO、O2的第一性原理研究
相关领域
星团（航天器）
计算机科学
程序设计语言
|
| 网址 |
求助人暂未提供
AI链接 harvard.edu |
| DOI |
暂未提供，该求助的时间将会延长，查看原因？
|
| 其它 | First-principles calculations are performed to study the interaction of medium sized amorphous cluster Au55 with small molecules CO and O2. The absorption energy of CO on Au55 is among 0.5 0.7 eV at different sites and [CO+O2] can be co-adsorbed on Au55. Comparisons between Au55 and Au32 show that the absorption energy not only depends on the number of atoms, but also depends on the geometry of the gold structure. Kinds of Au-C-O complexes as reactant and product in CO oxidation process are calculated. Similar with smaller cluster (Au8, Au32), the energy difference of [CO+O2]@Au55 and [CO2+O]@Au55 much lager than that of free gas. It indicate the medium sized cluster still can enhance the LH process (CO+O2 --> CO2 + O). |
| 求助人 | |
| 下载 | |
|
温馨提示：该文献已被科研通 学术中心 收录，前往查看
科研通『学术中心』是文献索引库，收集文献的基本信息（如标题、摘要、期刊、作者、被引量等），不提供下载功能。如需下载文献全文，请通过文献求助获取。
|
PDF的下载单位、IP信息已删除
SYLH
ceeray23
iNk
热心市民小红花
LaTeXer
herococa
pluto
哇哇哇哇我
小豆豆
Tourist
Singularity
GingerF
七月流火
1101592875
奶黄包
昏睡的蟠桃
鸣笛
清风
eric888
杳鸢
皖公网安备34019202002308
