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Originally posted by huangyc at 2009-6-17 21:33:
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The d-band center was calculated as the first moment of the projected d-band density of states on the surface atoms referenced to the Fermi level
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Originally posted by yuyaolun at 2010-1-13 11:00:


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J.Chem.Phy. 2004,120, 10240£¬
Hammer and Norskov have shown that the interactions between adsorbates and transition metal surfaces involve the entire d-band.[3]

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