Experimental and computational studies of Si-doped fullerenes

被引：45

作者：

Billas, IML

Tast, F

Branz, W

Malinowski, N

Heinebrodt, M

Martin, TP

Boero, M

Massobrio, C

Parrinello, M

机构：

[1] Max Planck Inst Festkorperforsch, D-70569 Stuttgart, Germany

[2] GEMME, IPCMS, F-67037 Strasbourg, France

来源：

EUROPEAN PHYSICAL JOURNAL D | 1999年 / 9卷 / 1-4期

关键词：

D O I：

10.1007/s100530050451

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Silicon in-cage doped fullerenes result from laser-induced photofragmentation of mixed clusters of composition C60Six. These parent clusters are produced in a low pressure condensation cell, through the mixing of silicon vapor with a vapor containing the preformed C-60 molecules. The geometric and the electronic structures of fullerenes substitutionally doped with one and two silicon atoms are studied by ab-initio calculations within density functional theory.

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页码：337 / 340

页数：4

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