期刊
NANO LETTERS
卷 20, 期 2, 页码 1315-1321出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.nanolett.9b04798
关键词
Boron nanostructure; twin boundary; superlattice; two-dimensional material; density functional theory calculation
类别
资金
- National Natural Science Foundation of China [11772153, 21763024, 51535005]
- NSF of Jiangsu Province [BK20190018]
- National Key Research and Development Program of China [2019YFA0705400]
- Research Fund of State Key Laboratory of Mechanics and Control of Mechanical Structures [MCMS-I-0418K01, MCMS-I-0419K01]
- Fundamental Research Funds for the Central-Universities [NP2019301, NJ2019002, NE2018002, NC2018001]
- China Postdoctoral Science Foundation [2018M632301]
- Priority Academic Program Development of Jiangsu Higher Education Institutions
- Office of Naval Research [ONR N00014-17-1-2993]
- National Science Foundation Materials Research Science and Engineering Center (NSF) [DMR-1720139]
- ONR [N00014-18-1-2182]
Due to its in-plane structural anisotropy and highly polymorphic nature, borophene has been shown to form a diverse set of linear superlattice structures that are not observed in other two-dimensional materials. Here, we show both theoretically and experimentally that concentric superlattice structures can also be realized in borophene via the energetically preferred self-assembly of coherent twin boundaries. Since borophene twin boundaries do not require the creation of additional lattice defects, they are exceptionally low in energy and thus easier to nucleate and even migrate than grain boundaries in other two-dimensional materials. Due to their high mobility, borophene twin boundaries naturally self-assemble to form novel phases consisting of periodic concentric loops of filled boron hexagons that are further preferred energetically by the rotational registry of borophene on the Ag(1 1 1) surface. Compared to defect-free borophene, concentric superlattice borophene phases are predicted to possess enhanced mechanical strength and localized electronic states. Overall, these results establish defect-mediated self-assembly as a pathway to unique borophene structures and properties.
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