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author:

赵伟娜 (赵伟娜.) [1] | 陈文凯 (陈文凯.) [2]

Abstract:

<正>采用自旋极化密度泛函和广义梯度近似的方法,探讨了不同覆盖度下金属簇X(X=Pt-Au和Au-Au)在(3×2)TiO2(110)完整表面上的吸附行为.计算结果表明,当θ<1/2ML时,金属簇X在TiO2(110)表面上吸附能随覆盖度的增加而增加;当θ>1/2ML时,除了

Keyword:

TiO2(110)表面 双金属簇 密度泛函理论

Community:

  • [ 1 ] 福州大学化学系

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Year: 2012

Language: Chinese

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ESI Highly Cited Papers on the List: 0 Unfold All

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30 Days PV: 0

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