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- W2380967573 abstract "Properties of(8,0) carbon nanotube(CNT) before and after oxygen plasma modification were stu-died using density functional theory(DFT).The differences of CNT′s binding energy,band structure and density of states were compared.The results showed that the binding energy became smaller,suggesting that dispersion of CNT surface was enhanced and CNT could exist suitable after modification.In addition,although the Eg of(8,0) CNT was small,the top of valence band and the bottom of conduction band were not overlapping the Fermi level,which successfully verified that(8,0) CNT was a semiconductor type.Once modified by oxygen plasma,the structure of(8,0) CNT was greatly affected by-OH and-COOH,and its specific surface area increased.At the same time,the Ef and the density of states on the Fermi level significantly increased after modification,demonstrating that oxygen plasma strengthened CNT′s activity and could be an effective modification method." @default.
- W2380967573 created "2016-06-24" @default.
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- W2380967573 date "2012-01-01" @default.
- W2380967573 modified "2023-09-25" @default.
- W2380967573 title "Molecular Simulation of Carbon Nanotube Modified by Oxygen Plasma" @default.
- W2380967573 hasPublicationYear "2012" @default.
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