Characterization and theory of Re films on Pt(111) grown by UHV-CVD

被引：6
|
作者：
Detwiler, Michael D. [1 ]
Majumdar, Paulami [1 ]
Gu, Xiang-Kui [1 ]
Delgass, W. Nicholas [1 ]
Ribeiro, Fabio H. [1 ]
Greeley, Jeffrey [1 ]
Zemlyanov, Dmitry Y. [2 ]
机构：
[1] Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA
[2] Purdue Univ, Birck Nanotechnol Ctr, W Lafayette, IN 47907 USA
来源：
SURFACE SCIENCE | 2015年 / 640卷
基金：
美国国家科学基金会;
关键词：
XPS; HREELS; DFT; Bimetallic catalyst; Oxygen adsorption; CO adsorption; CHEMICAL VAPOR-DEPOSITION; CARBON-SUPPORTED PLATINUM; PHOTOELECTRON-SPECTROSCOPY; BIMETALLIC CATALYSTS; SYNTHESIS GAS; RHENIUM; ADSORPTION; OXYGEN; SURFACE; OXIDATION;
D O I：
10.1016/j.susc.2015.05.015
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：
Changes in surface chemistry and morphology of Re-Pt surfaces synthesized by ultra-high vacuum chemical vapor deposition (UHV-CVD) of Re on Pt(111) were studied by a combination of experiment and density functional theory (DFT) modeling. A Re oxide formed following exposure of the as-deposited Re to 1 x 10(-6) mbar oxygen at 600-673 K. Subsequent annealing at 973 K resulted in oxygen desorption and a decrease in Re coverage, as calculated by XPS and as observed by STM. This observation was explained by DFT calculations which showed that a clean Pt surface slab with subsurface Re is thermodynamically more favorable than Pt(111) with Re on the surface. DFT calculations also predicted weaker O and CO binding on this surface compared to both monometallic Pt and Re, and HREELS and temperature desorption measurements suggested that O binds weakly to the Pt skin surface, with oxygen on the Pt skin desorbing from this surface following annealing at 373 K. Trends in adsorption energies were consistent with DFT calculated d-band centers of surface atoms for model Pt-Re structures. Comparison of HREELS data and STM images with DFT calculated vibrational frequencies have been used to understand the structure of rhenium oxide on Pt(111). (C) 2015 Elsevier B.V. All rights reserved.
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页码：2 / 9
页数：8
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