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Structural and electronic properties of Ta2O5 with one formula unit 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 230
作者:  Tong, Yangwu;  Tang, Huimin;  Yang, Yong
收藏  |  浏览/下载：15/0  |  提交时间：2023/11/17
Ta2O5  Structure Search  Elementary Building Block  DFT Calculations  
Activated dissociation of H2 on the Cu(001) surface: The role of quantum tunneling 期刊论文
CHINESE PHYSICS B, 2023, 卷号: 32
作者:  Yu, Xiaofan;  Tong, Yangwu;  Yang, Yong
收藏  |  浏览/下载：15/0  |  提交时间：2023/11/10
H-2  Cu(001)  dissociation  quantum tunneling  density functional theory (DFT)  transfer matrix method  
Effects of pyridine-like and pyrrolic-like nitrogen on the photoluminescence blue-shift of nitrogen-doped graphene oxide quantum dots 期刊论文
JOURNAL OF LUMINESCENCE, 2021, 卷号: 235
作者:  Chen, Junxin;  Xu, Xiaofen;  Ma, Yuqiu;  Qin, Haijun;  Liu, Jun;  Lv, Fengzhen;  Zhu, Changming;  Wang, Liguang;  Long, Lizhen;  Liu, Fuchi;  Yang, Yong;  Kong, Wenjie
收藏  |  浏览/下载：64/0  |  提交时间：2021/05/31
Photoluminescence  Blue-shift  Pyridine-like nitrogen  Pyrrolic-like nitrogen  Graphene oxide quantum dots  
Quantum nature of proton transferring across one-dimensional potential fields* 期刊论文
CHINESE PHYSICS B, 2021, 卷号: 30
作者:  Bi, Cheng;  Chen, Quan;  Li, Wei;  Yang, Yong
收藏  |  浏览/下载：59/0  |  提交时间：2021/05/06
proton transfer  nuclear quantum effects  atomic resonant tunneling  double barriers  
Atomic Resonant Tunneling in the Surface Diffusion of H Atoms on Pt(111) 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2021, 卷号: 125
作者:  Bi, Cheng;  Yang, Yong
收藏  |  浏览/下载：35/0  |  提交时间：2021/04/26
Ab initio thermodynamics studies on the phase stability of PtO2 under ambient and high-pressure conditions 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 180
作者:  Chen, Quan;  Yang, Yong
收藏  |  浏览/下载：46/0  |  提交时间：2020/11/26
Platinum dioxide  Ab initio thermodynamics  Phase stability  High pressure  Phase transformation  
Adsorption of water on fluorinated graphene 期刊论文
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2019, 卷号: 124, 页码: 54-59
作者:  Yang, Yong;  Liu, Fuchi;  Kawazoe, Yoshiyuki
Adobe PDF(1259Kb)  |  收藏  |  浏览/下载：110/42  |  提交时间：2019/01/11
Water  Fluorinated graphene  Adsorption  First-principles calculations  Van der waals interactions  
Tuning the photoluminescence of graphene oxide quantum dots by photochemical fluorination 期刊论文
CARBON, 2019, 卷号: 141, 页码: 331-338
作者:  Gao, Fuhua;  Liu, Fuchi;  Bai, Xiaohua;  Xu, Xiaofen;  Kong, Wenjie;  Liu, Jun;  Lv, Fengzhen;  Long, Lizhen;  Yang, Yong;  Li, Ming
收藏  |  浏览/下载：34/0  |  提交时间：2019/12/25
Structural and dynamical properties of water adsorption on PtO2(001) 期刊论文
RSC ADVANCES, 2018, 卷号: 8, 期号: 27, 页码: 15078-15086
作者:  Yang, Yong
浏览  |  Adobe PDF(851Kb)  |  收藏  |  浏览/下载：70/34  |  提交时间：2019/06/03