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[期刊论文] 作者：Dawei Zhou,Yangbing Zheng,Chunying Pu,Zhuo Wang,Xin Tang,
来源：中国物理快报（英文版） 年份：2018
By means of the particle-swarm optimization method and density functional theory calculations,the lowestenergy structure of SnAs is determined to be a bilayer s...
Two-dimensional 1T-PS2 as a promising anode material for sodium-ion batteries with ultra-high capaci
[期刊论文] 作者：Dawei Zhou,Chunping Li,Furong Yin,Xin Tang,Chunying Pu,Chaozheng He,
来源：中国化学快报（英文版） 年份：2020
As electrodes, two-dimensional materials show special advantages including the infinite planar lengths, broad electrochemical window, large surface–volume rati...
Two-dimensional MgSiP_(2) with anisotropic electronic properties and good performances for Na-ion ba
[期刊论文] 作者：Chunying Pu,Jiahui Yu,Ling Fu,Jia Wang,Houyong Yanga,Dawei Zhou,Chaozheng He,
来源：中国化学快报：英文版 年份：2021
Using the global particle-swarm optimization method and density functional theory,we predict a new stable two-dimensional layered material:MgSiP2with a low-buckled honeycomb lattice.Our HSE06 calculation shows that MgSiP2is an indire...
Two-dimensional MgSiP2 with anisotropic electronic properties and good performances for Na-ion batte
[期刊论文] 作者：Chunying Pu,Jiahui Yu,Ling Fu,Jia Wang,Houyong Yang,Dawei Zhou,Chaozheng He,
来源：中国化学快报（英文版） 年份：2021
Using the global particle-swarm optimization method and density functional theory, we predict a new stable two-dimensional layered material: MgSiP2 with a low-b...
Prediction of stable BC3N2 monolayer from first-principles calculations:Stoichiometry,crystal struct
[期刊论文] 作者：Jiahui Yu,Chaozheng He,Chunying Pu,Ling Fu,Dawei Zhou,Kun Xie,Jinrong Huo,Chenxu Zhao,Lingmin Yu,
来源：中国化学快报（英文版） 年份：2021
In this paper,a novel BC3N2 monolayer has been found with a graphene-like structure using the developed particle swarm optimization algorithm in combination with ab initio calculations.The predicted structure meets the thermodynamical,dynam......
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