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Volumn 79, Issue 11, 2009, Pages

Substrate-mediated interactions of Pt atoms adsorbed on single-wall carbon nanotubes: Density functional calculations

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EID: 65249183874     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.79.115426     Document Type: Article
Times cited : (24)

References (26)
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    • The large-scale DFT calculations were carried out using the OpenMX code and using the supercells of 32 conventional unit cells of the (5, 5) SWNT and 16 conventional unit cells of the (10, 0) SWNT. All calculations were performed at the Γ point. Structural optimizations without constraint were carried out for each Pt-Pt distance.
    • The large-scale DFT calculations were carried out using the OpenMX code and using the supercells of 32 conventional unit cells of the (5, 5) SWNT and 16 conventional unit cells of the (10, 0) SWNT. All calculations were performed at the Γ point. Structural optimizations without constraint were carried out for each Pt-Pt distance.
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.