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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…
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…
Graph Neural Networks for Carbon Dioxide Adsorption Prediction in Aluminium-Exchanged Zeolites
Marko Petković, José Manuel Vicent-Luna, Vlado Menkovski +1
The ability to efficiently predict adsorption properties of zeolites can be of large benefit in accelerating the design process of novel materials. The existing configuration space…
Mixing I and Br in Inorganic Perovskites: Atomistic Insights from Reactive Molecular Dynamics Simulations
Mike Pols, Adri C. T. van Duin, Sofía Calero +1
All-inorganic halide perovskites have received a lot of attention as attractive alternatives to overcome the stability issues of hybrid halide perovskites that are commonly associa…