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,Effect of the stoichiometry on the electronic structure of the Ni (111)/α-A12O3 (0001) interface: a
[期刊论文] 作者：Shi Si-Qi,Tanaka Shingo,Kohyama Masanori,
来源：中国物理B（英文版） 年份：2008
In this paper first-principles calculations of Ni (111)/α-Al2O3 (0001) interfaces have been performed, and are compared with the preceding results of the Cu (1...
,Structural and magnetic properties of LiNi0.5Mn1.5O4 and LiNi0.5Mn1.5O4-δ spinels: A first-principl
[期刊论文] 作者：Xin Xiao-Gui,Shen Jing-Qin,Shi Si-Qi,
来源：中国物理B（英文版） 年份：2012
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Effects of different agricultural treatments on narrowing winter wheat yield gap and nitrogen use ef
[期刊论文] 作者：YAO Feng-mei,LI Qin-ying,ZENG Rui-yun,SHI Si-qi,
来源：农业科学学报（英文） 年份：2021
Under the limited cultivated land area and the pursuit of sustainable agricultural development, it is essential for the safety of grain production to study agri...
[期刊论文] 作者：Shen Jing-Qin,Shi Si-Qi,Ouyang Chu-Ying,Lei Min-Sheng,Tang Wei-Hua,
来源：中国物理B（英文版） 年份：2009
The electronic structure and magnetism of eskolaite are studied by using first-principles calculations where the on-site Coulomb interaction and the exchange in...
[期刊论文] 作者：Zhong Zhi-Yong,Nie Zheng-Xin,Du Yan-Lan,Ouyang Chu-Ying,Shi Si-Qi,Lei Min-Sheng,
来源：中国物理B（英文版） 年份：2009
This paper studies the structure and electronic properties of Li4Ti5O12, as anode material for lithium ion batteries,from first principles calculations. The res...
[期刊论文] 作者：OUYANG Chu-Ying,SHI Si-Qi,WANG Zhao-Xiang,LI Hong,HUANG Xue-Jie,CHEN Li-Quan,
来源：中国物理快报（英文版） 年份：2005
Monte Carlo (MC) simulations are used to simulate the voltage profile and the ionic conductivity s of Li ions in LixMn2O4 and its dependence on the lithium conc...
[期刊论文] 作者：Ouyang Xiao-Fang,Shi Si-Qi,Ouyang Chu-Ying,Jiang Di-You,Liu De-Sheng,Ye Zhi-Qing,Lei Min-Sheng,
来源：中国物理（英文版） 年份：2007
The local crystal structures and electronic structuresof LiMxFe1-xPO4 (M = Co, Ni, Rh) are studied through first-principles calculations. The lattice constants...
[期刊论文] 作者：OUYANG Chu-Ying,WANG De-Yu,SHI Si-Qi,WANG Zhao-Xiang,LI Hong,HUANG Xue-Jie,CHEN Li-Quan,
来源：中国物理快报（英文版） 年份：2006
The electronic structure and ionic dynamic properties of pure and Na doped (Li site) LiFePO4 have been investigated by first-principles calculations.The band ga...
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