采用第一性原理的平面波超软赝势方法,分析了纯锐钛矿TiO2及 Zr,Nb单掺杂和共掺杂锐钛矿TiO2等四种晶体模型的电子结构和光学性质.研究发现,掺杂对TiO2的电子结构带来了影响;Zr 4d杂质态与价带杂化叠加,Nb 4d杂质态发生能级分裂,对能带带来较大影响;Zr掺杂TiO2的吸收带边出现轻微红移,Nb 掺杂和Zr-Nb 共掺杂TiO2发...
采用第一性原理的平面波超软赝势方法,分析了纯锐钛矿TiO2及 Zr,Nb单掺杂和共掺杂锐钛矿TiO2等四种晶体模型的电子结构和光学性质.研究发现,掺杂对TiO2的电子结构带来了影响;Zr 4d杂质态与价带杂化叠加,Nb 4d杂质态发生能级分裂,对能带带来较大影响;Zr掺杂TiO2的吸收带边出现轻微红移,Nb 掺杂和Zr-Nb 共掺杂TiO2...
ian Boundary (G-LB) from southwest China have attracted much attention, not only due to the End-Guadalupian mass extinction near the boundary, but also to the unique and regionally extensive Nb-Zr-REY-Ga mineralization with potential economic significance (REY = rare earth elements and Y). ...
Shi, Y. Li, M. Dargusch, S. Huang, J. Ma, C. Wen, J. Lin Impact of scandium on mechanical properties, corrosion behavior, friction and wear performance, and cytotoxicity of a beta-type Ti–24Nb–38Zr–2Mo alloy for orthopedic applications Acta Biomater, 134 (2021), pp. 791-803 ...
et al. Effect of hybrid modification by ceramic layer formation in MAO process and laser remelting on the structure of titanium bio-alloy Ti13Nb13Zr. Ceram. Int. 49, 16603–16614. https://doi.org/10.1016/j.ceramint.2023.02.018 (2023). Article CAS Google Scholar Wang, Y. et al. ...
TiO2 nanodisks designed for Li-ion batteries: a novel strategy for obtaining an ultrathin and high surface area anode material at the ice interface. Energ Environ Sci , 2013 , 6: 2932 CrossRef Google Scholar [45] Wang X, Yan C, Yan J, et al. Orthorhombic niobium oxide nanowires ...
Following Liu et al.55, we used the bulk major element oxides, TiO2 + FeO + MgO in the case of oxides, as the internal standard (assumed to be 100 wt.%) to calculate the concentrations of Nb, Ta, Zr, and Hf. The data are provided in Supplementary Data 2. We note that the ...
结果表明 , 119～ 125 M a 玄武岩不仅具显著分异的稀土元素组成(L a/ Y b = 35～ 60)、岛弧玄武 岩型微量元 素分布特征 , 且具高 Ni(210×10-6 ～ 510×10-6)和 C r(510 ×10-6 ～ 1400 ×10-6)含量 、高 M g #(71～ 78), 以 及系统高 于球粒陨石 的 N b/ T a 值[ 19.9 ...
Photocatalytic ethanol oxidative dehydrogenation over Pt/TiO2: effect of the addition of blue phosphors Int. J. Photoenergy, 2012 (2012), 10.1155/2012/687262 Google Scholar [49] W. He, Y. Liu, W.G. Wamer, J.J. Yin Electron spin resonance spectroscopy for the study of nanomaterial-mediated...
(TiO2 > 90 wt.%) tend to have higher Nb/Ta ratios than Fe–Ti oxides (Ti/Fe atomic ratio = 0.6–2.4) (Fig.3a). Although scattered, most rutile analyses show higher Nb/Ta ratios than arc basalts and MORB (Fig.3a), suggesting that rutiles are responsible for the high Nb/...