111 citations · 249 across the 6 of their papers we have counts for
6 papers
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…
Structural dynamics in hybrid halide perovskites: Bulk Rashba splitting, spin texture, and carrier localization
Chao Zheng, Shidong Yu, Oleg Rubel
The extended carrier lifetime in hybrid halide perovskites was attributed to a quasi-indirect band gap that arises due to Rashba splitting in both conduction and valence band edges…
Aziridinium lead iodide: a stable, low bandgap hybrid halide perovskite for photovoltaics
Chao Zheng, Oleg Rubel
The low ionization energy of an site molecule is a very important factor, which determines the thermodynamical stability of PbI hybrid halide perovskites, while the size…
Ionization energy as a stability criterion for halide perovskites
Chao Zheng, Oleg Rubel
Instability of hybrid organic-inorganic halide perovskites hinders their development for photovoltaic applications. First-principle calculations are used for evaluation of a decomp…