Home  |  Contact  |  Sitemap  |  Chinese  |  CAS
Search: 
News
Location: Home > 旧网站归档- > News > Events
DFT study of the adsorption properties of single Pt, Pd, Ag, In and Sn on the γ-Al2O3 (1 1 0) surface
Author:
ArticleSource:
Update time: 2016-06-04
Close
Text Size: A A A
Print

 

GGA/PW91 exchange–correlation functional within periodic density functional theory (DFT) has been used to investigate the adsorption properties of different metal atoms (Pt, Pd, Ag, Sn and In) on the O-terminated and Al-terminated γ-Al2O3 (1 1 0) surface. The predicted adsorption energies follow the order Sn > In > Ag > Pd > Pt. It is found that O-bridge position is the most favorable site for single Pt, Pd, Ag, Sn and In adsorption on the O-terminated γ-Al2O3 (1 1 0) surface. It is found that the most favorable site on the Al-terminated γ-Al2O3(1 1 0) surface is O-top position. 

Chemical Physics Letters

Volume 657, 16 July 2016, Pages 11–17

Copyright 2007-2015 All rights reserved. 29 Zhongguancun East Road, Haidian District, Beijing, 100190, PR China
Please send any comments or problems with this site to: lzhang@mail.ipc.ac.cn.