128 citations · 899 across the 30 of their papers we have counts for
6 papers · 1 filter
Electronic properties of Pb-I deficient lead halide perovskites
Chao Zheng, Oleg Rubel, Mikaël Kepenekian +2
The electronic structure evolution of deficient halide perovskites with a general formula was investigated using the density functional theory. The foc…
Stability of aziridinium lead iodide perovskite: ring strain and water vulnerability
Kangze Ren, Chao Zheng, Michael A. Brook +1
Recently, an aziridinium lead iodide perovskite was proposed as a possible solar cell absorber material. We investigated the stability of this material using a density-functional t…
Unraveling the water degradation mechanism of CHNHPbI
Chao Zheng, Oleg Rubel
Instability of perovskite photovoltaics is still a topic which is currently under intense debate, especially the role of water environment. Unraveling the mechanism of this instabi…
Bimolecular theory of non-radiative recombination in semiconductors with disorder
Oleg Rubel
The original Shockley-Read-Hall recombination statistics is extended to include recombination of localized excitations. The recombination is treated as a bimolecular process rather…
Exploration of the bright and dark exciton landscape and fine structure of MoS (using GW-BSE)
Hongyu Yu, Magdalena Laurien, Zhenpeng Hu +1
Spectral ordering between dark and bright excitons in transition metal dichalcogenides is of increasing interest for optoelectronic applications. However, little is known about dar…
Electronic band structure of nitrogen diluted Ga(PAsN): Formation of the intermediate band, direct and indirect optical transitions, localization of states
Maciej P. Polak, Robert Kudrawiec, Oleg Rubel
The electronic band structure of Ga(PAsN) with a few percent of nitrogen is calculated in the whole composition of Ga(PAs) host using the state-of-the-art density functional method…