Pd Segregation on the Surface of Bimetallic PdAu Nanoparticles Induced by Low Coverage of Adsorbed CO

被引：49

作者：

Mamatkulov, Mikhail ^{[1
]}

Yudanov, Ilya V. ^{[1
,2
]}

Bukhtiyarov, Andrey V. ^{[1
]}

Prosvirin, Igor P. ^{[1
]}

Bukhtiyarov, Valerii I. ^{[1
]}

Neyman, Konstantin M. ^{[3
,4
,5
]}

机构：

[1] Russian Acad Sci, Siberian Branch, Boreskov Inst Catalysis, Novosibirsk 630090, Russia

[2] Russian Acad Sci, Siberian Branch, Krasnoyarsk Sci Ctr, Inst Chem & Chem Technol,Fed Res Ctr, Krasnoyarsk 660036, Russia

[3] Univ Barcelona, Dept Ciencia Mat & Quim Fis, C Marti & Franques 1, E-08028 Barcelona, Spain

[4] Univ Barcelona, Inst Quim Teor & Computat, C Marti & Franques 1, E-08028 Barcelona, Spain

[5] ICREA, Pg Lluis Companys 23, Barcelona 08010, Spain

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2019年 / 123卷 / 13期

基金：

俄罗斯科学基金会;

关键词：

METAL NANOPARTICLES; CATALYTIC-ACTIVITY; ADSORPTION ENERGY; SIZE-DEPENDENCE; MODEL CATALYSTS; DFT; XPS; AU; OXIDATION; CLUSTERS;

D O I：

10.1021/acs.jpcc.8b07402

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：

For bimetallic Pd Au/HOPG model catalysts, reversible enrichment of the surface by Pd under CO oxidation conditions was found using a near-ambient pressure X-ray photoelectron spectroscopy technique. Density functional calculations combined with calculations using the topological energy expression method were applied to reveal the mechanism of this phenomenon and to quantify the stability of different arrangements of metal atoms in bimetallic PdAu nanoparticles in the presence of CO adsorbate. According to results of this computational approach, adsorption of CO already at a rather moderate coverage is sufficient to make energetically feasible segregation of Pd at terraces of PdAu nanoparticles similar in size with experimentally studied ones.

引用

页码：8037 / 8046

页数：10

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