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

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.

Automated summary

In this study, a systematic experimental and theoretical investigation was conducted on the wide-ranged band gap tuning of protonated titanate nanotubes via an easy ion-exchange method using low concentration of transition metal cations. Results showed that the nanotube band gap could be modified from 1.5 to 3.3 eV, offering potential applications in optoelectronic devices such as photocatalysts under solar light irradiation.