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,Benchmarking PBE+D3 and SCAN+rVV10 methods using potential energy surfaces generated with MP2+?CCSD
[期刊论文] 作者：Jie Chen,Weiyu Xie,Kaihang Li,Shengbai Zhang,Yi-Yang Sun,
来源：中国物理B（英文版） 年份：2020
We develop a benchmark system for van der Waals interactions obtained with MP2+?CCSD(T) method at completebasis set limit. With this benchmark, we examine the w...
[期刊论文] 作者：Lingyan Lu,Han Zhang,Xiaowei Wu,Jing Shi,Yi-Yang Sun,
来源：中国物理B（英文版） 年份：2021
Using hybrid density functional calculation,we study the atomic and electronic structures of p-type dopants,B,A1 and Ga,in 4H-SiC.For B,depending on the growth condition,it can occupy both Si and C sites.In contrast,A1 and Ga on the C sites......
[期刊论文] 作者：Han Zhang,Chen Ming,Ke Yang,Hao Zeng,Shengbai Zhang,Yi-Yang Sun,
来源：中国物理快报（英文版） 年份：2020
Transparent conducting materials (TCMs) have been widely used in optoelectronic applications such as touch-screens,fiat panel displays and thin film solar cells...
[期刊论文] 作者：Xiaowei Wu,Chen Ming,Jing Shi,Han Wang,Damien West,Shengbai Zhang,Yi-Yang Sun,
来源：中国物理快报（英文版） 年份：2022
High-temperature phases of solids are often dynamically stable only.First-principles study of point defects in such solids at 0 K is prohibited by their static instability,which results in random structures of the defect-containing supercel......
[期刊论文] 作者：Tao Chun-Lan,Zhang Xu-Hui,Dong Mao-Jun,Liu Yi-Yang,Sun Shuo,Ou Gu-Ping,Zhang Fu-Jia,Zhang Hao-Li,
来源：中国物理B（英文版） 年份：2008
A comprehensive understanding of the organic semiconductor material pentacene is meaningful for organic field effect transistors (OFETs).Thin films of pentacene...
[会议论文] 作者：Fang Wang,Yi-Yang Sun,John B.Hatch,Hui Xing,Hongwang Zhang,Xiaohong Xu,Hong Luo,Shengbai Zhang,Hao Zeng,
来源：第二十届全国半导体物理学术会议 年份：2015
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[期刊论文] 作者：Lynne M HOWELLS,Elena P MOISEEVA,Christopher PNEAL,Bethany EFOREMAN,Catherine KANDREADI,Yi-yang SUN,E,
来源：Acta Pharmacologica Sinica 年份：2007
There is growing interest in the ability of phytochemicals to prevent chronicdiseases,such as cancer and heart disease.However,some of these agents havepoor bi...
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