The rapid success achieved from perovskite solar cell has drawn great expectations for
commercialization of next-generation photovoltaics. Among the various perovskite materials …

Despite the rapid rise in the performance of a variety of perovskite optoelectronic devices
with vertical charge transport, the effects of ion migration remain a common and …

A wide bandgap perovskite has broad application prospects in perovskite-based tandem
solar cells. However, the I/Br mixed wide bandgap perovskite suffers from inevitable …

Herein, we demonstrate that coevaporated dopants provide a means to passivate buried
interfacial defects occurring at perovskite grain boundaries in evaporated perovskite thin …

Semiconductor material optimization requires quantification of performance and stability-
dependent near-valence maximum and near-conduction minimum defects with sufficient …

Lead halide perovskites such as methylammonium lead iodide are attractive solar cell
materials, and others such as cesium lead bromide are expected to be high-performing …

The gradient expansion has been a long-standing guide rail in density-functional theory. We
here demonstrate that for exchange-correlation approximations that depend on the gradient …

Hybrid lead halide perovskites are promising materials for photovoltaic applications due to
their exceptional optoelectronic properties. Here, we investigate the impact of Schottky …

Photovoltaic technology, particularly perovskite solar cell (PSC) materials, has emerged as a
promising avenue due to their excellent light-absorbing properties. Despite significant …

The efficiency of Pb substitution on the Sn site of CsSnI3 is studied theoretically utilizing DFT
as employed by Wien2k code. The energetical, structural, and thermodynamic stability …