Work

Surface Termination-Dependent Nanotribological Properties of Single-Crystal MAPbBr3 Surfaces

Year: 2019

Type: article

Abstract: 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 PbI 6 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 PbBr 2 -terminated vacant surface terminations, respectively. The calculated electronic band structures of the various MABr- and PbBr 2 -terminated surfaces show that the midgap states are absent, revealing the defect-tolerant nature of the ideal single-crystal MAPbBr 3 surfaces.

Source: The Journal of Physical Chemistry C

DOI: 10.1021/acs.jpcc.9b10191