4 papers
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…
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…
Tracing Ion Migration in Halide Perovskites with Machine Learned Force Fields
Viren Tyagi, Mike Pols, Geert Brocks +1
Halide perovskite optoelectronic devices suffer from chemical degradation and current-voltage hysteresis induced by migration of highly mobile charged defects. Atomic scale molecul…