Search Results - "Su, Qiulei"

The stability and diffusion properties of foreign impurity atoms on the surface and in the bulk of vanadium: A first-principles study by Gong, Ling, Su, Qiulei, Deng, Huiqiu, Xiao, Shifang, Hu, Wangyu

“…•The preferred sites for C, O and N atoms are the hollow ones on the (100) surface and the OIS sites in the bulk of vanadium.•O atom is easiest to diffuse on…”
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Transition Metal Adsorption Promotes Patterning and Doping of Graphene by Electron Irradiation by Wang, Zhiguo, Niu, Xinyue, Su, Qiulei, Deng, Huiqiu, Li, Zhijie, Hu, Wangyu, Gao, Fei

“…We present an ab initio molecular dynamics study of the effect of transition metal (TM) adatoms (Sc–Zn) on the threshold displacement energy (TDE) of graphene…”
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Composition Dependence of Lithium Diffusion in Lithium Silicide: A Density Functional Theory Study by Wang, Zhiguo, Su, Qiulei, Deng, Huiqiu, Fu, Yongqing

“…The lithiation process of silicon was investigated by using ab initio molecular dynamics. Diffusion coefficients of Li in Li–Si alloys were calculated to be in…”
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Oxygen Deficiency and Defect Chemistry in Delithiated Spinel LiNi0.5Mn1.5O4 Cathodes for Li‐Ion Batteries by Wang, Zhiguo, Su, Qiulei, Deng, Huiqiu, Fu, Yongqing

“…In this work, we investigated the effect of oxygen deficiency on defect chemistry in delithiated spinel LiNi0.5Mn1.5O4 cathodes by using first principles…”
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Comparison of Tetragonal and Cubic Tin as Anode for Mg Ion Batteries by Wang, Zhiguo, Su, Qiulei, Shi, Jianjian, Deng, Huiqiu, Yin, G. Q, Guan, J, Wu, M. P, Zhou, Y. L, Lou, H. L, Fu, Y. Q

“…Using first-principles calculation based on density functional theory, diffusion of Mg atom into α- and β-Sn was investigated. The diffusion barriers are 0.395…”
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Stability and diffusion properties of Ti atom on α-uranium surfaces: A first-principles study by Liu, Zhixiao, Deng, Huiqiu, Su, Qiulei, Liu, Jianglong, Hu, Wangyu

“…Single Ti atom adsorption and diffusion on α-U(001) and (100) surfaces. [Display omitted] •Energetically favored sites for Ti atom adsorption on alpha-uranium…”
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Structure and electronic properties of transition metal dichalcogenide MX2 (M = Mo, W, Nb; X = S, Se) monolayers with grain boundaries by Wang, Zhiguo, Su, Qiulei, Yin, G.Q., Shi, Jianjian, Deng, Huiqiu, Guan, J., Wu, M.P., Zhou, Y.L., Lou, H.L., Fu, Y.Q.

“…Layered transition metal dichalcogenides with unique mechanical, electronic, optical, and chemical properties can be used for novel nanoelectronic and…”
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Oxygen Deficiency and Defect Chemistry in Delithiated Spinel LiNi sub(0.5)Mn sub(1.5)O sub(4) Cathodes for Li-Ion Batteries by Wang, Zhiguo, Su, Qiulei, Deng, Huiqiu, Fu, Yongqing

“…In this work, we investigated the effect of oxygen deficiency on defect chemistry in delithiated spinel LiNi sub(0.5)Mn sub(1.5)O sub(4) cathodes by using…”
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Oxygen Deficiency and Defect Chemistry in Delithiated Spinel LiNi 0.5 Mn 1.5 O 4 Cathodes for Li‐Ion Batteries by Wang, Zhiguo, Su, Qiulei, Deng, Huiqiu, Fu, Yongqing

“…Abstract In this work, we investigated the effect of oxygen deficiency on defect chemistry in delithiated spinel LiNi 0.5 Mn 1.5 O 4 cathodes by using first…”
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