Thermal behavior of Si-doped fullerenes vs their structural stability at T = 0 K: A density functional study

Chemical Physics Letters

Volumn 510, Issue 1-3, 2011, Pages 14-17

  Scipioni, Roberto ^a   Matsubara, Masahiko ^b   Ruiz, Eliseo ^c   Massobrio, Carlo ^d   Boero, Mauro ^d,e,f  

^a MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

^b UNIVERSITY OF ANTWERP   (Belgium)

^c UNIVERSITY OF BARCELONA   (Spain)

^d UNIVERSITÉ DE STRASBOURG   (France)

^e JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^f JAPAN ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; C ATOMS; FINITE TEMPERATURES; LOCAL STATE; SEGREGATED NETWORK; SI-C BOND; STRUCTURAL STABILITIES; THERMAL BEHAVIORS; TOPOLOGICAL CONDITIONS;

THERMODYNAMIC STABILITY; TOPOLOGY;

SILICON;

EID: 79958845090     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.05.019     Document Type: Article

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