Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Hanli Cui"'
Publikováno v:
The Journal of Physical Chemistry C. 126:21426-21437
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::94abe2451fce1fdf14bd645fe768d3b1
https://doi.org/10.1021/acs.jpcc.2c06526
https://doi.org/10.1021/acs.jpcc.2c06526
Publikováno v:
The Journal of Chemical Physics. 158:094103
DFT-1/2 is an efficient band gap rectification method for density functional theory (DFT) under local density approximation (LDA) or generalized gradient approximation. It was suggested that non-self-consistent DFT-1/2 should be used for highly ionic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b268867c015773e43af8a385364af3e1
https://doi.org/10.1063/5.0137534
https://doi.org/10.1063/5.0137534
Autor:
Hanli Cui, Shengxin Yang, Jun-Hui Yuan, Li-Heng Li, Fan Ye, Jinhai Huang, Kan-Hao Xue, Xiangshui Miao
Publikováno v:
Computational Materials Science. 213:111669
The Kohn-Sham gaps of density functional theory (DFT) obtained in terms of local density approximation (LDA) or generalized gradient approximation (GGA) cannot be directly linked to the fundamental gaps of semiconductors, but in engineering there is
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d2d4ff18492d246877f7040dc7acd2ce
https://doi.org/10.1016/j.commatsci.2022.111669
https://doi.org/10.1016/j.commatsci.2022.111669
Autor:
Ge-Qi Mao, Zhao-Yi Yan, Kan-Hao Xue, Zhengwei Ai, Shengxin Yang, Hanli Cui, Jun-Hui Yuan, Tian-Ling Ren, Xiangshui Miao
Publikováno v:
Journal of Physics: Condensed Matter. 34:403001
It is known that the Kohn–Sham eigenvalues do not characterize experimental excitation energies directly, and the band gap of a semiconductor is typically underestimated by local density approximation (LDA) of density functional theory (DFT). An em
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c2aa1bae01b84f8acb5d9b3e5ca9ab2a
https://doi.org/10.1088/1361-648x/ac829d
https://doi.org/10.1088/1361-648x/ac829d
Autor:
Hualin Yang1 yanghualin2005@126.com, Hanli Cui1, Longgang Wang1, Li Yan1, Yong Qian1, Zheng, Xi Emily1, Wei Wei1,2, Jing Zhao1,2 jingzhao@nju.edu.cn
Publikováno v:
Sensors & Actuators B: Chemical. Oct2014, Vol. 202, p714-720. 7p.
Conference
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