Codi QR

The Role of Cation-Vacancies for the Electronic and Optical Properties of Aluminosilicate Imogolite Nanotubes: A Non-local, Linear-Response TDDFT Study

We report a combined non-local (PBE-TC-LRC) Density Functional Theory (DFT) and linear-response time-dependent DFT (LR-TDDFT) study of the structural, electronic, and optical properties of the cation-vacancy based defects in aluminosilicate (AlSi) imogolite nanotubes (Imo-NTs) that have been recentl...

Descripció completa

Guardat en:
Autors principals: Emiliano Poli, Joshua D. Elliott, Sergey K. Chulkov, Matthew B. Watkins, Gilberto Teobaldi
Format: Artigo
Idioma:Inglês
Publicat: Frontiers Media S.A. 2019-04-01
Col·lecció:Frontiers in Chemistry
Matèries:
inorganic nanotubes
imogolite nanotubes
defects
DFT
TD-DFT
optical properties
Accés en línia:https://www.frontiersin.org/article/10.3389/fchem.2019.00210/full
Etiquetes: Afegir etiqueta
Sense etiquetes, Sigues el primer a etiquetar aquest registre!

Ítems similars