204 citations · 1.1k across the 28 of their papers we have counts for
5 papers · 1 filter
Formation and composition-dependent properties of alloys of cubic halide perovskites
Gustavo M. Dalpian, Xingang Zhao, Lawrence Kazmerski +1
Distinct shortcomings of individual halide perovskites for solar applications, such as restricted range of band gaps, propensity of ABX3 to decompose into AX+BX2, or oxidation of 2…
Anti-doping in Insulators and Semiconductors having Intermediate Bands with Trapped Carriers
Qihang Liu, Gustavo M. Dalpian, Alex Zunger
Ordinary doping by electrons (holes) generally means that the Fermi level shifts towards the conduction band (valence band) and that the conductivity of free carriers increases. Re…
Realization of predicted exotic materials: The burden of proof
Oleksandr I. Malyi, Gustavo M. Dalpian, Xingang Zhao +2
Trove of exotic topoloid structures has recently been predicted by searching for compounds whose calculated band structure crossing points fulfill specific symmetry requirements. D…
Bond disproportionation, charge self-regulation and ligand holes in s-p and in d electron ABX3 perovskites by density functional theory
Gustavo Martini Dalpian, Qihang Liu, Julien Varignon +2
Some ABX3 perovskites exhibit different local environments (DLE) for the same B atoms in the lattice, an effect referred to as disproportionation, distinguishing such compounds fro…
Spins in Semiconductor Nanocrystals
Gustavo Martini Dalpian
Semiconductor nanocrystals are being used as hosts to trap and manipulate single spins. Spins in nanocrystals can have different properties than their bulk counterparts, owing both…