Methane activation on Fe4 cluster : a density functional theory study

Sun, Qiao, Li, Zhen, Wang, Meng, Du, Aijun, & Smith, Sean C. (2012) Methane activation on Fe4 cluster : a density functional theory study. Chemical Physics Letters, 550, pp. 41-46.

View at publisher

Abstract

We report a comprehensive theoretical study on reaction of methane by Fe4 cluster. This Letter gains insight into the mechanism of the reaction and indicate the Fe4 cluster has strong catalytic effect on the activation reaction of methane. In detail, the results show the cleavage of the first C–H bond is both an energetically and kinetically favourable process and the breaking of the second C–H is the rate-determining step. Moreover, our Letter demonstrates that the different cluster size of iron can not only determine the catalytic activity of methane but also control the product selectivity.

Impact and interest:

10 citations in Scopus
Search Google Scholar™
10 citations in Web of Science®

Citation counts are sourced monthly from Scopus and Web of Science® citation databases.

These databases contain citations from different subsets of available publications and different time periods and thus the citation count from each is usually different. Some works are not in either database and no count is displayed. Scopus includes citations from articles published in 1996 onwards, and Web of Science® generally from 1980 onwards.

Citations counts from the Google Scholar™ indexing service can be viewed at the linked Google Scholar™ search.

ID Code: 59761
Item Type: Journal Article
Refereed: Yes
DOI: 10.1016/j.cplett.2012.08.057
ISSN: 0009-2614
Divisions: Current > QUT Faculties and Divisions > Science & Engineering Faculty
Deposited On: 07 May 2013 22:57
Last Modified: 08 May 2013 21:45

Export: EndNote | Dublin Core | BibTeX

Repository Staff Only: item control page