Atomistic engineering in the control of the electronic properties of CdSe nanotubes (Articolo in rivista)

Type

• Prodotto della ricerca (Classe)
• Articolo in rivista (Classe)

Label

• Atomistic engineering in the control of the electronic properties of CdSe nanotubes (Articolo in rivista) (literal)

Anno

• 2010-01-01T00:00:00+01:00 (literal)

Alternative label

• Mercuri, F.; Leoni, S.; Green, J. C.; Wilson, M. (2010)
  Atomistic engineering in the control of the electronic properties of CdSe nanotubes
  in Physical review. B, Condensed matter and materials physics
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Mercuri, F.; Leoni, S.; Green, J. C.; Wilson, M. (literal)

Pagina inizio

• 155429 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 82 (literal)

Rivista

• Physical review. B, Condensed matter and materials physics (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#note

• DOI: 10.1103/PhysRevB.82.155429 (literal)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• [Mercuri, F.] Univ Perugia, Dept Chem, ISTM CNR, I-06123 Perugia, Italy. [Leoni, S.] Max Planck Inst Chem Phys Solids, D-01187 Dresden, Germany. [Green, J. C.] Univ Oxford, Inorgan Chem Lab, Dept Chem, Oxford OX1 3QR, England. [Wilson, M.] Univ Oxford, Dept Chem, Phys & Theoret Chem Lab, Oxford OX1 3QZ, England. (literal)

Titolo

• Atomistic engineering in the control of the electronic properties of CdSe nanotubes (literal)

Abstract

• The electronic band structure of inorganic nanotubes (INTs) formed both from percolating hexagonal-and square-net motifs are obtained by density-functional-based methods for a key technological material, CdSe. An energetic crossover from hexagonal- to square-net-based structures is observed at low INT radius indicative of a potential synthetic pathway. Molecular-dynamics simulations, using an existing potential, demonstrate the isolated INTs to be thermally stable. Electronic structure calculations indicate remarkable differences between INTs of different morphology. The results demonstrate that the electronic properties of CdSe nanotubes may be effectively engineered. (literal)

Prodotto di

• Institute of molecular science and technologies (ISTM) (Istituto)
• Metodi quantomeccanici per sistemi contenenti atomi pesanti (PM.P07.003.003) (Modulo)

Autore CNR

• FRANCESCO MERCURI (Unità di personale interno)

Incoming links:

Prodotto

• Institute of molecular science and technologies (ISTM) (Istituto)
• Metodi quantomeccanici per sistemi contenenti atomi pesanti (PM.P07.003.003) (Modulo)

Autore CNR di

• FRANCESCO MERCURI (Unità di personale interno)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Physical review. B, Condensed matter and materials physics (Rivista)