@article{oai:oist.repo.nii.ac.jp:00001498, author = {Choi, Joong Il Jake and Khan, Muhammad Ejaz and Hawash, Zafer and Lee, Hyunhwa and Ono, Luis K. and Qi, Yabing and Kim, Yong-Hoon and Park, Jeong Young}, issue = {2}, journal = {The Journal of Physical Chemistry C}, month = {Dec}, note = {Atomistic characterization of surface termination and the corresponding mechanical properties of single-crystal methylammonium lead tribromide (MAPbBr3) are performed using combined atomic force microscopy (AFM) measurements and density functional theory (DFT) calculations. A clean MAPbBr3 surface is obtained by in situ cleavage in ultrahigh vacuum at room temperature, and the subsequent AFM measurements of the as-cleaved MAPbBr3 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 MAPbBr3 surfaces.}, pages = {1484--1491}, title = {Surface Termination-Dependent Nanotribological Properties of Single-Crystal MAPbBr3 Surfaces}, volume = {124}, year = {2019} }