Surface Termination-Dependent Nanotribological Properties of Single-Crystal MAPbBr(3) Surfaces

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Atomistic characterization of surface termination and the corresponding mechanical properties of single-crystal methylammonium lead tribromide (MAPbBr(3)) are performed using combined atomic force microscopy (AFM) measurements and density functional theory (DFT) calculations. A clean MAPbBr(3) surface is obtained by in situ cleavage in ultrahigh vacuum at room temperature, and the subsequent AFM measurements of the as-cleaved MAPbBr(3) exhibit the coexistence of two different surface terrace types with step height differences corresponding to about half the thickness of a PbI6 octahedron layer. Concurrent friction force microscopy measurements show that the two surfaces result in two distinct friction values. Based on DFT calculations, we attribute the higher-friction and lower-friction surfaces to MABr-terminated flat and PbBr2-terminated vacant surface terminations, respectively. The calculated electronic band structures of the various MABr- and PbBr2-terminated surfaces show that the midgap states are absent, revealing the defect-tolerant nature of the ideal single-crystal MAPbBr(3) surfaces.
Publisher
AMER CHEMICAL SOC
Issue Date
2020-01
Language
English
Article Type
Article
Citation

JOURNAL OF PHYSICAL CHEMISTRY C, v.124, no.2, pp.1484 - 1491

ISSN
1932-7447
DOI
10.1021/acs.jpcc.9b10191
URI
http://hdl.handle.net/10203/272084
Appears in Collection
EEW-Journal Papers(저널논문)
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