期刊
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
卷 9, 期 11, 页码 2972-2978出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpclett.8b01233
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资金
- start-up fund from Department of Mechanical Engineering and Materials Science at the University of Pittsburgh
- Ministry of Science and Technology of China [2016YFA0200604, 2017YEA0204904]
- National Natural Science Foundation of China [11620101003, 21421063]
- Fundamental Research Funds for the Central Universities [WK3510000005]
- U.S. National Science Foundation [CHE-1213189]
- National Science Foundation [DMR-1620901, NSF OCI-1053575]
- MRI-R2 grant from National Science Foundation [DMR-0959470]
- DOE Office of Science User Facility [DE-AC02-06CH11357]
- DOE Office of Biological and Environmental Research
- Supercomputing Center at University of Science and Technology of China
In nanometer clusters (NCs), each atom counts. It is the specific arrangement of these atoms that determines the unique size-dependent functionalities of the NCs and hence their applications. Here, we employ a self-consistent, combined theoretical and experimental approach to determine atom-by-atom the structures of supported Pt NCs on MoS2. The atomic structures are predicted using a genetic algorithm utilizing atomistic force fields and density functional theory, which are then validated using aberration-corrected scanning transmission electron microscopy. We find that relatively small clusters grow with (111) orientation such that Pt[1 (1) over bar0] is parallel to MoS2[100], which is different from predictions based on lattice-match for thin-film epitaxy. Other 4d and 5d transition metals show similar behavior. The underpinning of this growth mode is the tendency of the NCs to maximize the metal-sulfur interactions rather than to minimize lattice strain.
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