1k citations · 1.2k across the 5 of their papers we have counts for
5 papers
Dimensionality-suppressed chemical doping in 2D semiconductors: the cases of phosphorene, MoS2, and ReS2 from first-principles
Ji-Hui Yang, Boris. I. Yakobson
In spite of great appeal of two-dimensional (2D) semiconductors for electronics and optoelectronics, to achieve required charge carrier concentrations by means of chemical doping r…
Unusual negative formation enthalpies and atomic ordering in isovalent alloys of transition metal dichalcogenide monolayers
Ji-Hui Yang, Boris I. Yakobson
Common substitutional isovalent semiconductor alloys usually form disordered metastable phases with positive excess formation enthalpies (ΔH). In contrast, monolayer alloys of tran…
Design of Lead-Free Inorganic Halide Perovskites for Solar Cells via Cation-Transmutation
Xin-Gang Zhao, Ji-Hui Yang, Yuhao Fu +5
Hybrid organic-inorganic halide perovskites with the prototype material of CHNHPbI have recently attracted intense interest as low-cost and high-performance photo…
Prediction of (TiO2)x(Cu2O)y Alloys for Photoelectrochemical Water Splitting
Heng-Rui Liu, Ji-Hui Yang, Yue-Yu Zhang +5
The formation of (TiO2)x(Cu2O)y solid-solutions are investigated using a global optimization evolutionary algorithm. First-principles calculations based on density functional theor…
Origin of the Superior Conductivity of Perovskite Ba(Sr)SnO3
Heng-Rui Liu, Ji-Hui Yang, H. J. Xiang +2
ASnO3 (A=Ba, Sr) are unique perovskite oxides in that they have superior electron conductivity despite their wide optical band gaps. Using first-principles band structure calculati…