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

Poli, Emiliano; Elliott, Joshua D; Chulkov, Sergey K; Watkins, Matthew B; Teobaldi, Gilberto

Poli, Emiliano; Elliott, Joshua D; Chulkov, Sergey K; Watkins, Matthew B; Teobaldi, Gilberto.

Afiliación

Poli E; The Abdus Salam Center for Theoretical Physics, Condensed Matter and Statistical Physics Department, Trieste, Italy.
Elliott JD; Dipartimento di Fisica e Astronomia "Galileo Galilei", Università degli Studi di Padova, Padova, Italy.
Chulkov SK; CNR-IOM DEMOCRITOS, Consiglio Nazionale delle Ricerche-Istituto Officina dei Materiali, Trieste, Italy.
Watkins MB; School of Chemical Engineering and Analytical Science, The University of Manchester, Manchester, United Kingdom.
Teobaldi G; School of Mathematics and Physics, University of Lincoln, Brayford Pool, Lincoln, United Kingdom.

Front Chem ; 7: 210, 2019.

Article en En | MEDLINE | ID: mdl-31024896

Palabras clave

DFT; TD-DFT; defects; imogolite nanotubes; inorganic nanotubes; optical properties; photo-catalysis

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Front Chem Año: 2019 Tipo del documento: Article País de afiliación: Italia Pais de publicación: Suiza

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