期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 15, 期 48, 页码 21016-21022出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c3cp52976b
关键词
-
资金
- National Key Basic Research, Development Program [2010CB631001]
- China Scholarship Council [201206170088]
- University of Technology, Sydney
- University of New South Wales [RG124422]
- Australia Research Council [FT FT100100956]
To facilitate the dissociative adsorption of H-2 molecules on pristine graphene, the addition of a mono-atom-vacancy to graphene is proposed. This leads to reduction of the dissociative energy barrier for a H-2 molecule on graphene from 3.097 to 0.805 eV for the first H-2 and 0.869 eV for the second, according to first principles calculations. As a result, two H-2 molecules can be easily dissociatively adsorbed on this defected graphene at room temperature. The electronic structure and conductivity of the graphene change significantly after H-2 adsorption. In addition, the related dissociative adsorption phase diagrams under different temperatures and partial pressures show that this dissociative adsorption at room temperature is very sensitive (10(-35) mol L-1). Therefore, this defected graphene is promising for ultra-sensitive room temperature hydrogen sensing.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据