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

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.5129266· OSTI ID:1579498
 [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)

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.

Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division
Grant/Contract Number:
SC0012704; 2017YFB0602205; 121421KYSB20150016
OSTI ID:
1579498
Alternate ID(s):
OSTI ID: 1577219
Report Number(s):
BNL-212408-2019-JAAM; TRN: US2102673
Journal Information:
Journal of Chemical Physics, Vol. 151, Issue 21; ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 3 works
Citation information provided by
Web of Science

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