Zobrazeno 1 - 10
of 26
pro vyhledávání: '"Liu, Heng-rui"'
Autor:
Ou, Ling, Liu, Heng-rui, Shi, Xiao-yan, Peng, Chang, Zou, Yuan-jing, Jia, Jun-wei, Li, Hui, Zhu, Zhi-xiang, Wang, Yan-hua, Su, Bing-mei, Lai, Yu-qian, Chen, Mei-yun, Zhu, Wei-xing, Feng, Zhong, Zhang, Gui-min, Yao, Mei-cun
Publikováno v:
In Journal of Ethnopharmacology 10 February 2024 320
Akademický článek
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The electronic properties of ABX3 (A = Cs, CH3NH3, NH2CHNH2; B = Sn, Pb; X = Cl, Br, I) type compounds in the cubic phase are systematically studied using the first-principles calculations. We find that these compounds have direct band gaps at R poin
Externí odkaz:
http://arxiv.org/abs/1309.0070
Autor:
Liu, Heng-Rui, Yang, Ji-Hui, Zhang, Yue-Yu, Chen, Shiyou, Walsh, Aron, Xiang, Hongjun, Gong, Xingao, Wei, Su-Huai
The formation of (TiO2)x(Cu2O)y solid-solutions are investigated using a global optimization evolutionary algorithm. First-principles calculations based on density functional theory are then used to gain insight into the electronic properties of thes
Externí odkaz:
http://arxiv.org/abs/1303.3355
Publikováno v:
Appl. Phys. Lett. 102, 112109 (2013)
ASnO3 (A=Ba, Sr) are unique perovskite oxides in that they have superior electron conductivity despite their wide optical band gaps. Using first-principles band structure calculations, we show that the small electron effective masses, thus, good elec
Externí odkaz:
http://arxiv.org/abs/1209.2845
Publikováno v:
J. Appl. Phys. 112, 093717 (2012)
The electron and hole effective masses of kesterite (KS) and stannite (ST) structured Cu_2Zn-IV-VI_4 (IV = Sn, Ge, Si and VI = S, Se) semiconductors are systematically studied using first-principles calculations. We find that the electron effective m
Externí odkaz:
http://arxiv.org/abs/1208.0774
Publikováno v:
J. Chem. Phys. 135, 214702 (2011)
Adsorption of $O_{2}$ molecule on Al surface has been a long standing puzzle for the first principles calculation. We have studied the adsorption of $O_{2}$ molecule on the Al(111) surface using hybrid functionals. In contrast to the previous LDA/GGA
Externí odkaz:
http://arxiv.org/abs/1111.1490
Publikováno v:
2021 6th International Conference on Transportation Information and Safety (ICTIS).
Publikováno v:
Journal of Chemical Physics; 12/7/2011, Vol. 135 Issue 21, p214702, 5p
Publikováno v:
In Physics Letters A 10 January 2014 378(3):290-293