Electronic structures and ferromagnetism of 3C-SiC doped with (Fe, Co) double-impurities by first-principles calculations
Sign Up to like & getrecommendations! Published in 2021 at "Materials Science in Semiconductor Processing"
DOI: 10.1016/j.mssp.2021.105779
Abstract: Abstract The magnetic and optical properties of pure, Fe, Co mono-doped and (Fe, Co) co-doped 3C-SiC were estimated, respectively, by using the plane wave pseudopotential method, with the first-principles of density functional theory. The calculation… read more here.
Keywords: mono doped; first principles; pure sic; doped sic ... See more keywords
Origin of the enhanced photocatalytic activity of (Ni, Se, and B) mono- and co-doped anatase TiO2 materials under visible light: a hybrid DFT study
Sign Up to like & getrecommendations! Published in 2020 at "RSC Advances"
DOI: 10.1039/d0ra07781j
Abstract: The characteristic properties of TiO2 (anatase) make doping necessary to enhance its photocatalytic activity. Herein, a density functional theory (DFT) study using the Heyd–Scuseria–Ernzerhof (HSE) hybrid functional was performed to precisely investigate the effect of… read more here.
Keywords: photocatalytic activity; visible light; activity; dft study ... See more keywords
First principles study of the electronic and magnetic properties of (Co,Ga) co-doped LiNbO 3
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Applied Physics"
DOI: 10.1063/1.5085162
Abstract: Based on the density functional theory first-principles method, we have investigated the electronic structures and magnetic properties of Co mono-doped and (Co,Ga) co-doped LiNbO 3 systems. The results demonstrate that Co mono-doped LiNbO 3 favors… read more here.
Keywords: state; magnetic properties; mono doped; first principles ... See more keywords
Mono-Doped and Co-Doped Nanostructured Hematite for Improved Photoelectrochemical Water Splitting
Sign Up to like & getrecommendations! Published in 2022 at "Nanomaterials"
DOI: 10.3390/nano12030366
Abstract: In this study, zinc-doped (α-Fe2O3:Zn), silver-doped (α-Fe2O3:Ag) and zinc/silver co-doped hematite (α-Fe2O3:Zn/Ag) nanostructures were synthesized by spray pyrolysis. The synthesized nanostructures were used as photoanodes in the photoelectrochemical (PEC) cell for water-splitting. A significant improvement… read more here.
Keywords: water splitting; hematite; fe2o3 fe2o3; fe2o3 ... See more keywords