Title of article
Electronic and geometric properties of exohedral potassium-fullerenes
Author/Authors
Rabilloud، نويسنده , , Franck، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2011
Pages
5
From page
213
To page
217
Abstract
We investigate the structural and electronic properties of KnC60 (n ⩽ 12) clusters in the framework of density-functional theory. The behavior of the potassium atoms over the C60 surface is analyzed. For K12C60, potassium atoms are found to form 4-atom islands on the surface. The charge transfer and the energetics are discussed in relation with available results.
Keywords
Alkali , Fullerenes , potassium , Charge transfer , C60 , Alkali-C60
Journal title
Computational and Theoretical Chemistry
Serial Year
2011
Journal title
Computational and Theoretical Chemistry
Record number
2284772
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