271 citations · 354 across the 10 of their papers we have counts for
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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…
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…
Abnormally weak intervalley electron scattering in MoS2 monolayer: insights from the matching between electron and phonon bands
Shiru Song, Ji-Hui Yang, Xin-Gao Gong
It is known that carrier mobility in layered semiconductors generally increases from two-dimension (2D) to three-dimension due to suppressed scattering channels resulting from decr…
Effective Lifetime of Non-Equilibrium Carriers in Semiconductors from Non-Adiabatic Molecular Dynamics Simulations
Shanshan Wang, Menglin Huang, Yu-Ning Wu +6
The lifetime of non-equilibrium electrons and holes in semiconductors is crucial for solar cell and optoelectronic applications. Non-adiabatic molecular dynamics (NAMD) simulations…
Intrinsic Instability of the Hybrid Halide Perovskite Semiconductor CH3NH3PbI3
Yue-Yu Zhang, Shiyou Chen, Peng Xu +4
The organic-inorganic hybrid perovskite CH3NH3PbI3 has attracted significant interest for its high performance in converting solar light into electrical power with an efficiency ex…