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...

Fuld beskrivelse

Na minha lista:
Bibliografiske detaljer
Udgivet i:Front Chem
Main Authors: Poli, Emiliano, Elliott, Joshua D., Chulkov, Sergey K., Watkins, Matthew B., Teobaldi, Gilberto
Format: Artigo
Sprog:Inglês
Udgivet: Frontiers Media S.A. 2019
Fag:
Chemistry
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6469436/
https://ncbi.nlm.nih.gov/pubmed/31024896
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2019.00210
Tags: Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!

Lignende værker