46 citations · 112 across the 4 of their papers we have counts for
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Picosecond lifetimes of hydrogen bonds in the halide perovskite CHNHPbBr
Alejandro Garrote-Márquez, Lucas Lodeiro, Norge Cruz Hernández +3
The structures and properties of organic-inorganic perovskites are influenced by the hydrogen bonding between the organic cations and the inorganic octahedral networks. This study…
Hydrogen bonds in lead halide perovskites: insights from ab initio molecular dynamics
Alejandro Garrote-Márquez, Lucas Lodeiro, Rahul Suresh +3
Hydrogen bonds (HBs) play an important role in the rotational dynamics of organic cations in hybrid organic/inorganic halide perovskites, affecting the structural and electronic pr…
DensityTool: A post-processing tool for space- and spin-resolved density of states from VASP
Lucas Lodeiro, Tomáš Rauch
The knowledge of the local electronic structure of heterogeneous solid materials is crucial for understanding their electronic, magnetic, transport, optical, and other properties.…
Atomic scale model and electronic structure of CuO/CHNHPbI interfaces in perovskite solar cells
Jesús E. Castellanos-Águila, Lucas Lodeiro, Eduardo Menéndez-Proupin +4
Cuprous oxide has been conceived as a potential alternative to traditional organic hole transport layers in hybrid halide perovskite-based solar cells. Device simulations predict r…