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Operando Raman probing of mode selective electron phonon coupling in two dimensional halide perovskites
Tufan Paul, Helena Boom, Lilian Skokan +8
Electron phonon coupling governs charge transport, carrier relaxation, and polaron formation in halide perovskites, yet its microscopic origin in low dimensional systems remains po…
A Unified microscopic picture of cation and anion migration in MAPbI
Viren Tyagi, Geert Brocks, Shuxia Tao
Passivating defects and restricting defect mobilities in halide perovskites to increase device lifetimes has become a main field of research. Modeling structure and mobility of poi…
Anisotropic Defect Diffusion in Layered CsPbBrI Perovskites
Konrad Wilke, Mike Pols, Titus S. van Erp +2
Mixed-halide perovskites offer a route to enhance phase stability and modify optoelectronic properties. Here, we use large-scale molecular dynamics simulations with a reactive forc…
Chemical Origin of Exciton Self-trapping in CsCuX Cesium Copper Halides
Zijin Wu, Shuxia Tao, Geert Brocks
Copper halides Cs3Cu2X5 (X=Cl, Br, I) are promising materials for optoelectronic applications due to their high photoluminescence efficiency, stability, and large Stokes shifts. In…
Halide diffusion in mixed-halide perovskites and heterojunctions
Viren Tyagi, Mike Pols, Geert Brocks +1
Migration of halide defects guides ion transport in metal halide perovskites and controls the kinetics of halide mixing and phase separation. We study the diffusion of halide vacan…