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Title: Interface-confined triangular FeO x nanoclusters on Pt(111)

Abstract

Under the oxidizing condition, the cheap metal component of bimetallic catalysts often segregates to the surface and forms oxide nanoclusters (NCs) supported on the metal surface, which exhibit unique structures and catalytic properties drastically different from the corresponding bulk materials. Here, density functional theory calculations are employed to describe the atomic and electronic structures of a series of triangular FeO x NCs confined on Pt(111) with the size ranging from ~0.3 nm to ~2.2 nm, which behave differently from the FeO film reported previously. The lattice of supported FeO x NCs on Pt(111) is found to vary not only with the NC size but also with the Fe/O ratio or the edge termination. Owing to a strong FeO x–Pt interaction, the heterogeneous distribution of local atomic and electronic structures of Fe across the FeO x NC is observed, though most of Fe atoms are positioned at the threefold hollow site of Pt(111). Furthermore, our study not only sheds light on the catalytically active sites of supported FeO x NCs but also provides guidance for the design of highly active and stable oxide nanocatalysts under reactive environment.

Authors:
 [1]; ORCiD logo [2]; ORCiD logo [3];  [3]
  1. Chinese Academy of Sciences, Dalian (China); Univ. of Chinese Academy of Sciences, Beijing (China)
  2. Brookhaven National Lab. (BNL), Upton, NY (United States)
  3. Chinese Academy of Sciences, Dalian (China)
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Chemical Sciences, Geosciences & Biosciences Division; USDOE
OSTI Identifier:
1579498
Alternate Identifier(s):
OSTI ID: 1577219
Report Number(s):
BNL-212408-2019-JAAM
Journal ID: ISSN 0021-9606
Grant/Contract Number:  
SC0012704; 2017YFB0602205; 121421KYSB20150016
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 151; Journal Issue: 21; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY

Citation Formats

Zhou, Zhiwen, Liu, Ping, Yang, Fan, and Bao, Xinhe. Interface-confined triangular FeOx nanoclusters on Pt(111). United States: N. p., 2019. Web. doi:10.1063/1.5129266.
Zhou, Zhiwen, Liu, Ping, Yang, Fan, & Bao, Xinhe. Interface-confined triangular FeOx nanoclusters on Pt(111). United States. doi:10.1063/1.5129266.
Zhou, Zhiwen, Liu, Ping, Yang, Fan, and Bao, Xinhe. Thu . "Interface-confined triangular FeOx nanoclusters on Pt(111)". United States. doi:10.1063/1.5129266.
@article{osti_1579498,
title = {Interface-confined triangular FeOx nanoclusters on Pt(111)},
author = {Zhou, Zhiwen and Liu, Ping and Yang, Fan and Bao, Xinhe},
abstractNote = {Under the oxidizing condition, the cheap metal component of bimetallic catalysts often segregates to the surface and forms oxide nanoclusters (NCs) supported on the metal surface, which exhibit unique structures and catalytic properties drastically different from the corresponding bulk materials. Here, density functional theory calculations are employed to describe the atomic and electronic structures of a series of triangular FeOx NCs confined on Pt(111) with the size ranging from ~0.3 nm to ~2.2 nm, which behave differently from the FeO film reported previously. The lattice of supported FeOx NCs on Pt(111) is found to vary not only with the NC size but also with the Fe/O ratio or the edge termination. Owing to a strong FeOx–Pt interaction, the heterogeneous distribution of local atomic and electronic structures of Fe across the FeOx NC is observed, though most of Fe atoms are positioned at the threefold hollow site of Pt(111). Furthermore, our study not only sheds light on the catalytically active sites of supported FeOx NCs but also provides guidance for the design of highly active and stable oxide nanocatalysts under reactive environment.},
doi = {10.1063/1.5129266},
journal = {Journal of Chemical Physics},
number = 21,
volume = 151,
place = {United States},
year = {2019},
month = {12}
}

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