1k citations · 2.3k across the 7 of their papers we have counts for
7 papers
First-principles study of mechanical and electronic properties of bent monolayer transition metal dichalcogenides
Niraj K. Nepal, Liping Yu, Qimin Yan +1
The mechanical and electronic properties of transition metal dichalcogenide (TMD) monolayers corresponding to transition groups IV, VI, and X are explored under mechanical bending…
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…
Negative Poisson's Ratio in 1T-Type Crystalline Two-Dimensional Transition Metal Dichalcogenides
Liping Yu, Qimin Yan, Adrienn Ruzsinszky
Materials with a negative Poisson's ratio, also known as auxetic materials, exhibit unusual and counterintuitive mechanical behavior - becoming fatter in cross-section when stretch…
Cu-In Halide Perovskite solar absorbers
Xin-Gang Zhao, Dongwen Yang, Yuanhui Sun +4
The long-term chemical instability and the presence of toxic Pb in otherwise stellar solar absorber APbX have hindered their large-scale commercialization. Previously explore…
Prediction and accelerated laboratory discovery of previously unknown 18-electron ABX compounds
Romain Gautier, Xiuwen Zhang, Linhua Hu +6
Chemists and material scientists have often focused on the properties of previously reported compounds, leaving out numerous unreported but chemically plausible compounds that coul…
Design and discovery of a novel Half-Heusler transparent hole conductor made of all-metallic heavy elements
Feng Yan, Xiuwen Zhang, Yonggang Yu +4
Metallic conductors that are optically transparent represent a rare breed of generally contraindicated physical properties that are nevertheless critically needed for application w…
False-positive and False-negative assignments of Topological Insulators in Density-Functional Theory and Hybrids
Julien Vidal, Xiuwen Zhang, Liping Yu +2
Density-functional Theory (DFT) approaches have recently been used to judge the topological order of various materials despite its well-known band gap underestimation. Use of the m…