C-,N- and S-Doped TiO2 Photocatalysts: A Review
A Piątkowska, M Janus, K Szymański, S Mozia - Catalysts, 2021 - mdpi.com
This article presents an overview of the reports on the doping of TiO2 with carbon, nitrogen,
and sulfur, including single, co-, and tri-doping. A comparison of the properties of the …
and sulfur, including single, co-, and tri-doping. A comparison of the properties of the …
Unraveling the structural and morphological stability of oxygen vacancy engineered leaf-templated CaTiO 3 towards photocatalytic H 2 evolution and N 2 fixation …
The investigation of the structural and morphological stability of leaf-templated and oxygen
vacancy engineered materials is of great importance along with the detailed study of …
vacancy engineered materials is of great importance along with the detailed study of …
Density functional theory for doped TiO2: Current research strategies and advancements
Since the inception of the density functional theory (DFT) by Hohenberg and Kohn in 1964, it
rapidly became an indispensable theoretical tool across various disciplines, such as …
rapidly became an indispensable theoretical tool across various disciplines, such as …
Fast exchange with Gaussian basis set using robust pseudospectral method
In this article, we present an algorithm to efficiently evaluate the exchange matrix in periodic
systems when a Gaussian basis set with pseudopotentials is used. The usual algorithm for …
systems when a Gaussian basis set with pseudopotentials is used. The usual algorithm for …
Chalcogenide Perovskites (ABS3; A = Ba, Ca, Sr; B = Hf, Sn): An Emerging Class of Semiconductors for Optoelectronics
P Basera, S Bhattacharya - The Journal of Physical Chemistry …, 2022 - ACS Publications
Chalcogenide perovskites have received considerable interest in the photovoltaic research
community because of their stability, nontoxicity, and lead-free composition. However …
community because of their stability, nontoxicity, and lead-free composition. However …
Role of Defects in Photocatalytic Water Splitting: Monodoped vs Codoped SrTiO3
Using the hybrid density functional theory and ab initio atomistic thermodynamics, we report
that monodoping of nonmetal (N) or metal (Mn) in SrTiO3 can induce visible-light absorption …
that monodoping of nonmetal (N) or metal (Mn) in SrTiO3 can induce visible-light absorption …
Reducing lead toxicity in the methylammonium lead halide : Why Sn substitution should be preferred to Pb vacancy for optimum solar cell efficiency
Methylammonium lead halide (MAPbI 3) perovskite has emerged as one of the frontier
optoelectronic semiconductors. To avoid lead toxicity, the role of Sn substitution and Pb …
optoelectronic semiconductors. To avoid lead toxicity, the role of Sn substitution and Pb …
Self energy and excitonic effect in (un) doped TiO 2 anatase: a comparative study of hybrid DFT, GW and BSE to explore optical properties
TiO2 anatase has significant importance in energy and environmental research. However,
the major drawback of this immensely popular semi-conductor is its large bandgap of 3.2 eV …
the major drawback of this immensely popular semi-conductor is its large bandgap of 3.2 eV …
Crystalline S-doped TiO2 photoanodes from amorphous titanium oxysulfide (TiOxSy) for photo-oxidation reactions
DRS Pitombeira, MJS Costa, RA Antunes, RO Ferreira… - Optical Materials, 2023 - Elsevier
S-doped TiO 2 films were prepared by oxidation annealing of amorphous titanium oxysulfide
(TiO x S y) at different temperatures. According to the X-ray diffraction patterns, the films …
(TiO x S y) at different temperatures. According to the X-ray diffraction patterns, the films …
Heteroatom substitution enhances generation and reactivity of surface-activated peroxydisulfate complexes for catalytic fenton-like reactions
Abstract Peroxydisulfate (PDS)-based Fenton-like reactions are promising advanced
oxidation processes (AOPs) to degrade recalcitrant organic water pollutants. Current …
oxidation processes (AOPs) to degrade recalcitrant organic water pollutants. Current …