Adsorption of Hydrogen on Gold-Nickel Nanoparticles: Simulation and Experiment

被引：8
作者：
Dokhlikova, N. V. [1 ]
Grishin, M. V. [1 ]
Sarvadii, S. Yu. [1 ]
Shub, B. R. [1 ]
机构：
[1] Russian Acad Sci, Semenov Inst Chem Phys, Moscow, Russia
来源：
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B | 2019年 / 13卷 / 03期
基金：
俄罗斯基础研究基金会;
关键词：
nanoparticles; gold; nickel; hydrogen; adsorption; interaction; quantum chemical simulation; scanning tunnel microscopy; spectroscopy; CATALYTIC-ACTIVITY;
D O I：
10.1134/S1990793119030035
中图分类号：
O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号：
070203 ; 070304 ; 081704 ; 1406 ;
摘要：
This paper presents the results of quantum chemical simulation and experiments to determine the effects of the adsorption of hydrogen onto gold-nickel nanoparticles. Numerical experiments revealed that the most energetically favorable positions of adsorbed hydrogen atoms are mainly located in the vicinity of gold atoms due to electron density redistribution between gold and nickel in bimetallic clusters. Experimental studies of the nanostructured gold-nickel coating deposited on graphite confirmed the theoretically predicted effects.
引用
收藏
页码：525 / 538
页数：14
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