Thermodynamic Origin of Photoinstability in the CH3NH3Pb(I1-xBrx)3 Hybrid Halide Perovskite Alloy.

F, Brivio; C, Caetano; A, Walsh

doi:10.1021/acs.jpclett.6b00226

Public

Thermodynamic Origin of Photoinstability in the CH3NH3Pb(I1-xBrx)3 Hybrid Halide Perovskite Alloy.

Shared by NobleBlocks on Mar 9, 2016 • 12:00 AM UTC

Authors:

Brivio F

Caetano C

Walsh A

Abstract

The formation of solid-solutions of iodide, bromide, and chloride provides the means to control the structure, band gap, and stability of hybrid halide perovskite semiconductors for photovoltaic applications. We report a computational investigation of the CH3NH3PbI3/CH3NH3PbBr3 alloy from density fu...

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