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

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.

Khan, Muhammad EjazKAIST, KOR;National University of Technology, PAK (author)
Hawash, ZaferOkinawa Institute of Science and Technology, JPN(Swepub:kau)zafehawa (author)
Lee, HyunhwaInstitute for Basic Science, KOR; KAIST, KOR (author)
Ono, Luis K.Okinawa Institute of Science and Technology, JPN (author)
Qi, YabingOkinawa Institute of Science and Technology Graduate University, JPN (author)
Kim, Yong-HoonKAIST, KOR (author)
Park, Jeong YoungInstitute for Basic Science, KOR (author)
Institute for Basic Science, KORKAIST, KOR;National University of Technology, PAK (creator_code:org_t)

In:The Journal of Physical Chemistry C: AMER CHEMICAL SOC124:2, s. 1484-14911932-74471932-7455

By the author/editor: Choi, Joong Il J ...; Khan, Muhammad E ...; Hawash, Zafer; Lee, Hyunhwa; Ono, Luis K.; Qi, Yabing; show more...; Kim, Yong-Hoon; Park, Jeong Youn ...; show less...

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