Issue 5, 2021
From the journal:

Nanoscale Advances

Tuning the band gap of M-doped titanate nanotubes (M = Fe, Co, Ni, and Cu): an experimental and theoretical study†

Melissa Méndez-Galván, ORCID logo ‡a   Christian A. Celaya, ORCID logo ‡bc   Oscar Andrés Jaramillo-Quintero, ORCID logo d   Jesus Muñiz,b   Gabriela Díaz ORCID logo *a  and  Hugo A. Lara-García ORCID logo *a  

* Corresponding authors

a Instituto de Física, Depto. Física Química, Universidad Nacional Autónoma de México, Apartado Postal 20-364, Ciudad de México, Mexico
E-mail: diaz@fisica.unam.mx, hugo.lara@fisica.unam.mx

b Instituto de Energías Renovables, Universidad Nacional Autónoma de México, Priv. Xochicalco s/n, Col. Centro, Temixco, Morelos 62580, Mexico

c Departamento de Materiales de Baja Dimensionalidad, Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito Exterior s/n Ciudad Universitaria, Apartado Postal 70-360, Coyoacán, CP, Ciudad de México, Mexico

d Catedrático CONACYT-Instituto de Energías Renovables, Universidad Nacional Autónoma de México, Priv. Xochicalco s/n, Col. Centro, Temixco, Morelos 62580, Mexico

Abstract

Herein, we report a systematic experimental and theoretical study about a wide-ranged band gap tuning of protonated titanate nanotubes H2Ti3O7 (Ti-NT) by an easy ion-exchange method using a low concentration (1 wt%) of transition metal cations. To characterize and describe the effect of M doping (M = Cu2+, Ni2+, Co2+, and Fe3+) on the electronic, optical and structural properties, semiconductors were analyzed by a combination of experimental methods and density functional theory (DFT) calculations. The nanotube band gap can be modified from 1.5 to 3.3 eV, which opens the possibility to use them in several optoelectronic applications such as photocatalysts under solar light irradiation.

Graphical abstract: Tuning the band gap of M-doped titanate nanotubes (M = Fe, Co, Ni, and Cu): an experimental and theoretical study

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Article information

DOI
https://doi.org/10.1039/D0NA00932F
Article type
Paper
Submitted
07 Nov 2020
Accepted
22 Dec 2020
First published
30 Dec 2020
This article is Open Access
Creative Commons BY-NC license

Nanoscale Adv., 2021,3, 1382-1391

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Tuning the band gap of M-doped titanate nanotubes (M = Fe, Co, Ni, and Cu): an experimental and theoretical study

M. Méndez-Galván, C. A. Celaya, O. A. Jaramillo-Quintero, J. Muñiz, G. Díaz and H. A. Lara-García, Nanoscale Adv., 2021, 3, 1382 DOI: 10.1039/D0NA00932F

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