Substrate dependence of Pt4 electronic properties

被引：5
|
作者：
Arevalo, Ryan Lacdao [1 ]
Kishi, Hirofumi [1 ]
Padama, Allan Abraham Bustria [1 ]
Moreno, Joaquin Lorenzo Valmoria [1 ]
Kasai, Hideaki [1 ]
机构：
[1] Osaka Univ, Dept Precis Sci & Technol & Appl Phys, Suita, Osaka 5650871, Japan
来源：
JOURNAL OF PHYSICS-CONDENSED MATTER | 2013年 / 25卷 / 22期
基金：
日本科学技术振兴机构;
关键词：
INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; OXYGEN; OXIDATION; CLUSTERS; BEHAVIOR; SIZE;
D O I：
10.1088/0953-8984/25/22/222001
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
We show through first-principles calculations that the electronic properties of Pt-4 clusters can be tuned by adsorption on substrates with different electronic valence characters. Pt clusters exhibit a metallic character on gamma-Al2O3(111) and insulator properties on CaZrO3(001). The noted difference indicates the role of the electronic valence states of the substrate atoms that directly bond with Pt.
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收藏
页数：4
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