Enhanced Photovoltaic Properties Induced by Ferroelectric Domain Structures in Organometallic Halide Perovskites

• DOI: 10.1021/acs.jpcc.7b03091
• Publication Date: 2017-05-03T10:28:58Z
• Authors: Fuzhen Bi; Stanislav Markov; Rulin Wang; YanHo Kwok; Weijun Zhou; Limin Liu; Xiao Zheng; GuanHua Chen; ChiYung Yam
• Keywords: 02 engineering and technology; 0210 nano-technology; 7. Clean energy

Organometallic halide perovskites have drawn substantial interest due to their outstanding performance in solar energy conversion and optoelectronic applications. The presence of ferroelectric domain walls these materials has shown a profound effect on electronic structure. Here, we use density-functional-based tight-binding model, coupled nonequilibrium Green's function method, investigate the effects transport properties charge carrier recombination methylammonium lead–iodide perovskite, MAPbI3. With walls, segregation channels for electrons holes is observed, conductance substantially increased reduced band gap. In addition, by taking into account interactions with photons vacuum environment, it found that electron–hole drastically suppressed paths, which could enhance photovoltaic performance.