23 citations · 54 across the 10 of their papers we have counts for
10 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…
Chiral Spinterfaces as an Overlooked Component of the Chiral-Induced Spin Selectivity Effect
Franziska Schölzel, Aybüke Gülkaya, Rico Ehrler +11
The chiral-induced spin selectivity (CISS) effect is generally attributed to spin-selective transport through chiral molecules, while the role of the molecule-electrode interface r…
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…
Impact of Metal Cation on Chiral Properties of 2D Halide Perovskites
Mike Pols, Helena Boom, Geert Brocks +2
Chiral two-dimensional (2D) halide perovskites are formed by embedding chiral organic cations in a perovskite crystal structure. The chirality arises from distortions of the 2D met…
Chiral Phonons in 2D Halide Perovskites
Mike Pols, Geert Brocks, Sofía Calero +1
Phonons in chiral crystal structures can be circularly polarized, making them chiral. Chiral phonons carry angular momentum, which is observable in heat currents, and, via coupling…
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…
Temperature-Dependent Chirality in Halide Perovskites
Mike Pols, Geert Brocks, Sofía Calero +1
With the use of chiral organic cations in two-dimensional metal halide perovskites, chirality can be induced in the metal halide layers, which results in semiconductors with intrig…