Low trap-state density and long carrier diffusion in organolead trihalide perovskite single crystals

作者：Dong Shi, Valerio Adinolfi, Riccardo Comin, Mingjian Yuan, Erkki Alarousu, Andrei Buin, Yin Chen, Sjoerd Hoogland, A. Rothenberger, Khabiboulakh Katsiev, Yaroslav Losovyj, Xin Zhang, P. A. Dowben, Omar F. Mohammed, Edward H. Sargent, Osman M. Bakr · 发表于：Science · 年份：2015 · DOI：10.1126/science.aaa2725 · 被引用次数：5138 · 研究领域：Perovskite Materials and Applications、Solid-state spectroscopy and crystallography、Crystal Structures and Properties

The fundamental properties and ultimate performance limits of organolead trihalide MAPbX3 (MA = CH3NH3(+); X = Br(-) or I(-)) perovskites remain obscured by extensive disorder in polycrystalline MAPbX3 films. We report an antisolvent vapor-assisted crystallization approach that enables us to create sizable crack-free MAPbX3 single crystals with volumes exceeding 100 cubic millimeters. These large single crystals enabled a detailed characterization of their optical and charge transport characteristics. We observed exceptionally low trap-state densities on the order of 10(9) to 10(10) per cubic centimeter in MAPbX3 single crystals (comparable to the best photovoltaic-quality silicon) and charge carrier diffusion lengths exceeding 10 micrometers. These results were validated with density functional theory calculations.