Ground-state molecular and electronic structures of group-IV nanoribbons, nanorings and nanotubes

Based on ab initio molecular orbital (MO) theory and first-principles band calculations, we systematically study the ground-state molecular and electronic structures of group-IV nanoribbons (NRBs), nanorings (NRGs) and nanotubes (NTBs) by substituting the honeycomb skeletal atoms with C, Si or Ge at...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2018, Vol.2 (37), p.24353-24368
Hauptverfasser:	Matsunaga, YouKey, Takeda, Kyozaburo
Format:	Artikel
Sprache:	eng
Schlagworte:	Crossovers First principles Germanium Honeycomb construction Molecular orbitals Nanoribbons Nanotubes Silicon
Online-Zugang:	Volltext
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