Theoretical study of α- and γ-V2O5 double-walled nanotubes | Zendy

Vitaly V. Porsev | Zendy; Andrei V. Bandura | Zendy; R. A. Évarestov | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Open Access

Theoretical study of α- and γ-V₂O₅ double-walled nanotubes

Author(s) -

Vitaly V. Porsev,

Andrei V. Bandura,

R. A. Évarestov

Publication year - 2016

Publication title -

lithuanian journal of physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.269

H-Index - 16

eISSN - 2424-3647

pISSN - 1648-8504

DOI - 10.3952/physics.v56i2.3303

Subject(s) - adhesion , materials science , relaxation (psychology) , electronic structure , crystal structure , crystallography , nanotechnology , chemical physics , molecular physics , chemistry , computational chemistry , composite material , psychology , social psychology

The first-principles calculations of the atomic and electronic structure of double-walled nanotubes (DWNTs) of γ -V 2 O 5 have been performed and the obtained properties have been compared with those of α -V 2 O 5 ones. The DWNT structure relaxation leads to the formation of two types of local regions: (1) adhesion regions and (2) puckering regions. Although the structure of adhesion regions of α -V 2 O 5 DWNTs is close to the structure of bulk α -V 2 O 5 , this is not the case for γ -V 2 O 5 DWNTs. The resulting structure of adhesion regions in γ -V 2 O 5 SWNTs allows us to assume the existence of hypothetical stable phases, with one of them resembling the experimentally observed R-Nb 2 O 5 and (V 0.7 Mo 0.3 ) 2 O 5 crystals.

The content you want is available to Zendy users.

Already have an account? Click here to sign in.

Having issues? You can contact us here

Accelerating Research