271 citations · 354 across the 10 of their papers we have counts for
10 papers
An Effective Descriptor for Predicting and Designing High-Temperature Ambient-Pressure Superconductors
Yuting Sun, Shixu Liu, Xin-Gao Gong +1
Searching for ambient-pressure conventional superconductors with critical temperatures (TC) higher than 40 K is a key challenge in the field of high-temperature superconductivity,…
Photo-accelerated hot carrier transfer at MoS2/WS2:a first-principles study
Zhi-Guo Tao, Guo-Jun Zhu, Weibin Chu +2
Charge transfer in type-II heterostructures plays important roles in determining device performance for photovoltaic and photocatalytic applications. However, current theoretical s…
Defect theory under steady illuminations and applications
Guo-Jun Zhu, Yi-Bin Fang, Zhi-Guo Tao +2
Illumination has been long known to affect semiconductor defect properties during either growth or operating process. Current theories of studying the illumination effects on defec…
Origin of performance degradation in high-delithiation LiCoO: insights from direct atomic simulations using global neural network potentials
Pan Zhang, Cheng Shang, Zhipan Liu +2
LiCoO based batteries have serious capacity degradation and safety issues when cycling at high-delithiation states but full and consistent mechanisms are still poorly under…
Efficient determination of the Hamiltonian and electronic properties using graph neural network with complete local coordinates
Mao Su, Ji-Hui Yang, Hong-Jun Xiang +1
Despite the successes of machine learning methods in physical sciences, prediction of the Hamiltonian, and thus electronic properties, is still unsatisfactory. Here, based on graph…
Exceptionally high phonon-limited carrier mobility in BX (X = P, As, Sb) monolayers
Shiru Song, Shixu Liu, Yuting Sun +2
Ideal two-dimensional (2D) semiconductors with high mobility comparable to three-dimensional (3D) Si or GaAs are still lacking, hindering the development of high-performance 2D dev…