期刊
PHYSICAL REVIEW LETTERS
卷 111, 期 15, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.111.156101
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资金
- Northwestern University Institute for Catalysis in Energy Processes (ICEP) [DOE DE-FG02-03-ER15457]
- U.S. Department of Energy Office of Science Laboratory [DE-AC02-06CH11357]
- Institute for Atom-Efficient Chemical Transformations (IACT), an Energy Frontier Research Center
- U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences
Using SrTiO3 nanocuboids as a model system, we show with aberration-corrected high resolution electron microscopy at sub-angstrom resolution that surface relaxations or reconstructions are present on the nanocuboids, depending on the synthetic process. Oleic acid synthesis, acetic acid synthesis, and microwave-assisted acetic acid synthesis result in a SrO termination, TiO2-rich reconstruction, and mixed termination, respectively. The experimental atomic positions are in better agreement with density functional theory calculations using an exact-exchange corrected PBEsol functional than the Perdew-Burke-Ernzerhof (PBE) functional.
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