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Depressed transition temperature of WxV1-xO2: mechanistic insights from the X-ray absorption fine structure (XAFS) spectroscopy
Wu, YF; Fan, LL; Huang, WF; Chen, SM; Chen, S; Chen, FH; Zou, CW; Wu, ZY;吴自玉
2014
发表期刊PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷号16期号:33页码:17705-17714
摘要The mechanism for the decreasing critical temperature (T-C) of the metal insulator transition (MIT) in vanadium dioxide (VO2) by tungsten (W) doping is a matter of debate. Here, to clarify the correlation between W doping and T-c, the electronic and geometrical structures around W and V atoms in WxV1-xO2 samples are systematically investigated by X-ray absorption fine structure (XAFS) spectroscopy. The evidence of electron doping of W6+ ions in VO2 is obtained from the reduction of V4+ to V3+ ions. This kind of electron doping has been considered to favor the MIT process. Moreover, from the XAFS results, the local rutite structure around W dopants is identified even at low doping, and acts as the structure-guided domain to facilitate the MIT in VO2. Considering the electronic band structures of WxV1-xO2 samples, the internal stresses induced by W6+ doping yield the detwisting of the nearby monoclinic VO2 lattice. This lattice detwisting will drive the downward shift of the pi* electron band and a smaller separation between antibonding and bonding d(II) orbitals in the band structure of VO2, which induces the decreased band gaps of WxV1-xO2 samples. As a consequence, the potential energy barrier for phase transition is lowered and the reduced T-c is observed.
学科领域Chemistry; Physics
DOI10.1039/c4cp01661k
收录类别SCI
WOS记录号WOS:000341064800039
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被引频次:28[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.ihep.ac.cn/handle/311005/225250
专题多学科研究中心
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GB/T 7714
Wu, YF,Fan, LL,Huang, WF,et al. Depressed transition temperature of WxV1-xO2: mechanistic insights from the X-ray absorption fine structure (XAFS) spectroscopy[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2014,16(33):17705-17714.
APA Wu, YF.,Fan, LL.,Huang, WF.,Chen, SM.,Chen, S.,...&Wu, ZY;吴自玉.(2014).Depressed transition temperature of WxV1-xO2: mechanistic insights from the X-ray absorption fine structure (XAFS) spectroscopy.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,16(33),17705-17714.
MLA Wu, YF,et al."Depressed transition temperature of WxV1-xO2: mechanistic insights from the X-ray absorption fine structure (XAFS) spectroscopy".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 16.33(2014):17705-17714.
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