Recent progress in the development of semiconductor‐based photocatalyst materials for applications in photocatalytic water splitting and degradation of pollutants

F Opoku, KK Govender… - Advanced …, 2017 - Wiley Online Library
Photocatalytic approaches in the visible region show promising potential in photocatalytic
water splitting and water treatment to boost water purification efficiency. For this reason …

Effect of codo** of rare earth elements and Cr on multiferroic, optical and photocatalytic properties of BiFeO3

T Ahmad, K **dal, M Tomar, PK Jha - Materials Today Communications, 2023 - Elsevier
In the present work, first principle calculations have been performed to study the combined
effect of A (Bi) and B (Fe) site do** on the structural, multiferroic, optical and photocatalytic …

Enhancement of Visible Light Photocatalytic Activity of SrTiO3: A Hybrid Density Functional Study

B Modak, SK Ghosh - The Journal of Physical Chemistry C, 2015 - ACS Publications
The quest for efficient utilization of solar light for the generation of hydrogen through water
splitting has provided motivation to find new dopant elements for the wide band gap …

An Efficient Strategy for Controlled Band Gap Engineering of KTaO3

B Modak, SK Ghosh - The Journal of Physical Chemistry C, 2016 - ACS Publications
In this theoretical study, a systematic investigation has been carried out to explore the effect
of several anionic dopants (individually as well as in combination) on the electronic structure …

Enhancement of Visible Light-Driven Water Splitting and CO2 Conversion Activities of SrTiO3 by Tuning the Dopant Charge State

SP Mantry, NK Bharti, B Modak - The Journal of Physical …, 2024 - ACS Publications
Electronic and structural property modulation of SrTiO3 to make it an efficient photocatalyst
for overall water splitting and CO2 conversion under visible light irradiation has been an …

Photocatalytic splitting of water on s-triazine based graphitic carbon nitride: an ab initio investigation

K Srinivasu, SK Ghosh - Journal of Materials Chemistry A, 2015 - pubs.rsc.org
Density functional theory based investigations have been carried out to understand the
reaction mechanism of the overall photocatalytic water splitting reaction on s-triazine based …

Exploring the Role of La Codo** beyond Charge Compensation for Enhanced Hydrogen Evolution by Rh–SrTiO3

B Modak, SK Ghosh - The Journal of Physical Chemistry B, 2015 - ACS Publications
In this theoretical study, we investigate recent observation of enhancement of hydrogen
evolution efficiency of Rh-doped SrTiO3 due to codo** with La at the Sr lattice site. Using …

Boosting the Photocatalytic Ability of Bandgap Engineered (Na0.5Bi0.5)TiO3–BaTiO3 by N–Ni Codo**

H ** on the electronic structure and photocatalytic activity of Rh-
doped SrTiO3 has been investigated using hybrid density functional theory as a tool …

Hybrid density functional theory description of non-metal do** in perovskite BaTiO3 for visible-light photocatalysis

M Wang, C Wang, Y Liu, X Zhou - Journal of Solid State Chemistry, 2019 - Elsevier
Non-metal do** is one of the major strategies to reduce the large band gap of
semiconductors into the visible light region. In this work, first-principles calculations based …