Toward uniform nanotubular compounds: Synthetic approach and ab initio calculations

DOI zum Zitieren dieses Dokuments:: 10.5283/epub.1777

Miller, Glen P. ; Okano, Shinya ; Tomanek, David

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Veröffentlichungsdatum dieses Volltextes: 05 Aug 2009 13:32

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Zusammenfassung

We propose to synthesize a new class of single-walled nanotubular compounds (SWNCs) and investigate the interplay between their structural and electronic properties using ab initio density functional calculations. SWNCs are composed of cyclacenes of variable diameter interconnected by various linker compounds. Cyclacenes map directly onto and can be viewed as the shortest segments of (n,0) zigzag ...