A Theoretical Characterization of the Interaction of Cis- and Trans-decalin with Pt4 Clusters

摘要：

Decalin is of importance both in synthetic chemistry and fuel industry. It has also been proposed as a hydrogen carrier that provides hydrogen without CO2 emission by means of dehydrogenation in the presence of Pt-containing catalysts 1. As the platinum catalysts are usually dispersed on support materials, they are often recognized as nano-clusters that exhibit a wide variety of structures and properties 2. In this contribution we present first-principles study on the adsorption of cis-and trans-decalin on Pt4 clusters, aiming to @illustrate their interaction patterns.

作者: Shengping Yu Qun Zeng Mingli Yang

作者单位: Department of Chemistry, Sichuan University, Chengdu 610064, China Institute of Atomic and Molecular Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China

会议类型: 国际会议

会议名称: 2010 8th International Vacuum Electron Sources Conference and NANOcarbon(第八届真空电子源和纳米碳国际会议)

会议地点: 南京

会议语种:英文

页码: 611-612

在线出版日期: 2010-10-14（万方平台首次上网日期，不代表论文的发表时间）