Band gap narrowing of TiO2 nanoparticles: A passivated Co-doping approach for enhanced photocatalytic activity

S Na-Phattalung, DJ Harding… - Journal of Physics and …, 2022 - Elsevier
… Ti –N O ) is greatly narrowed. Comparing among N, Nb, and (Nb Ti –N O ) dopants in TiO
2 NPs, the co-doping pair shows the largest band gap reduction and should provide superior …

Theoretical insights of codoping to modulate electronic structure of and for enhanced photocatalytic efficiency

M Kumar, P Basera, S Saini, S Bhattacharya - Scientific Reports, 2020 - nature.com
Semiconductor-based photocatalysts are seeking the … With the aid of codoping, the band
gap could be tailored such … to neutral defects due to the uncompensated charge. The positive …

Role of Defects in Photocatalytic Water Splitting: Monodoped vs Codoped SrTiO3

M Kumar, P Basera, S Saini… - The Journal of Physical …, 2020 - ACS Publications
… Mn codoped system. The decrement in band gap is most suitable for the Mn and N codoped
… (44,45) Note that these defects are not stable in neutral form because of the uncompensated

Structural, optical, and electrical characteristics of anatase titanium dioxide tailored by doping of nitrogen and copper ions

G Kaur, P Negi, RJ Konwar, H Kumar, N Devi… - Ceramics …, 2024 - Elsevier
… The band gap of TiO 2 reduced from 3.2 to 1.9 eV with mono–doping and codoping of the
… dioxide (TiO 2 ) has emerged as one of the most commonly utilized semiconductor oxides in …

Enhanced stability and ferromagnetic property in transition metals co-doped rutile TiO2

S Roy, H Luitel, D Sanyal - Journal of Physics and Chemistry of Solids, 2020 - Elsevier
… ordering of diluted magnetic semiconductor oxide systems. … many physical properties and
band structure of the TiO 2 matrix [[… To have insight of the effect of co-doping in TiO 2 matrix, we …

Effects of La-N Co-Doping of BaTiO3 on Its Electron-Optical Properties for Photocatalysis: A DFT Study

Y Wang, Q Zhou, Q Zhang, Y Ren, K Cui, C Cheng… - Molecules, 2024 - mdpi.com
… to reduce the bandgap of a catalyst by altering its valence band structure. Numerous studies
Band structure engineering of semiconductors for enhanced photoelectrochemical water …

Investigation of structural, electronic and optical properties of (V+ P)-doped BaZrO3 for photocatalytic applications using density functional theory

S Akhtar, SM Alay-e-Abbas, J Batool, W Zulfiqar… - Journal of Physics and …, 2020 - Elsevier
… allow elimination of uncompensated electronic charges and … O, respectively, we show that
co-doping these elements at the BZO … within the band gap of BZO electronic band structure by …

[PDF][PDF] Ab Initio Studies of Bimetallic-Doped {0001} Hematite Surface for Enhanced Photoelectrochemical Water Splitting. Catalysts 2021, 11, 940

J Simfukwe, RE Mapasha, A Braun, M Diale - 2021 - academia.edu
… Zr codoped with Zn (Zn, Zr) on the {0001} α-Fe2O3 surface. The calculated PDOS and band
structure for Zr-… Ab initio study on noncompensated CrO codoping of GaN for enhanced solar …

[HTML][HTML] Phase Selectivity in Cr and N Co-Doped by Modulated Sputter Growth and TiO2 Films Post-Deposition Flash-Lamp-Annealing

R Gago, S Prucnal, R Hübner, F Munnik… - … Strategies in Thin …, 2020 - books.google.com
semiconductor with tuneable electrical and optical properties … of p-and n-type sites in
non-compensated dopants (eg, Cr/N) … In this work, we address the structural impact of co-doping in …

Ab initio studies of bimetallic-doped {0001} hematite surface for enhanced photoelectrochemical water splitting

J Simfukwe, RE Mapasha, A Braun, M Diale - Catalysts, 2021 - mdpi.com
… structures, we further examined the effects of Zr and Zr codoped with Zn (Zn, Zr) on the {0001}
α-Fe 2 O 3 surface. The calculated PDOS and band structure for Zr-doped {0001} α-Fe 2 O …