Proton polarizability on Pt surface with water molecules

被引：0

作者：

Yamamoto, T ^{[1
]}

Ohnishi, S ^{[1
]}

Watari, N ^{[1
]}

机构：

[1] Yokohama Natl Univ, Fac Engn, Yokohama, Kanagawa 2408501, Japan

来源：

NANOTECH 2003, VOL 3 | 2003年

关键词：

DFT; proton; Pt; water;

D O I：

暂无

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We present theoretical studies of proton polarizability in the fuel cell system by the first-principles calculations based on the density functional theory for two model systems of a hydrogen on Pt surfaces with water molecules. We firstly discuss a hydrogen adatom at a hollow site on a Pt(100) surface with a water molecule by the supercell slab and Pt-13 systems. The proton polarizability is investigated for a hydrogen adatom in a Pt(111)-(root3xroot3)R30degrees surface with a water bilayer.

引用

页码：482 / 485

页数：4

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