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cond-mat.mtrl-sci2025
Deep-learning atomistic semi-empirical pseudopotential model for nanomaterials
Kailai Lin, Matthew J. Coley-O'Rourke, Eran Rabani
The semi-empirical pseudopotential method (SEPM) has been widely applied to provide computational insights into the electronic structure, photophysics, and charge carrier dynamics…
cond-mat.mtrl-sci2025
Theoretical insights into the role of lattice fluctuations on the excited behavior of lead halide perovskites
Yoonjae Park, Rohit Rana, Daniel Chabeda +2
Lead halide perovskites have been extensively studied as a class of materials with unique optoelectronic properties. A fundamental aspect that governs optical and electronic behavi…
cond-mat.mtrl-sci2025
Revealing the phonon bottleneck limit in negatively charged CdS quantum dots
Skylar J. Sherman, Bokang Hou, Matthew J. Coley-O'Rourke +4
The capture of photoexcited hot electrons in semiconductors before they lose their excess energy to cooling is a long-standing goal in photon energy conversion. Semiconductor nanoc…