Density functional theory calculations were carried out to investigate the adsorption behavior of the NO2 molecule on pristine and N-doped TiO2 anatase nanoparticles in order to …
The adsorption behaviors of SOx molecules on pristine and N-doped ZnO nanoparticles were investigated using density functional theory calculations (DFT). The results suggest an …
A Abbasi, JJ Sardroodi - Computational and Theoretical Chemistry, 2016 - Elsevier
Density functional theory calculations were carried out to investigate the adsorption behaviors of O 3 molecule on N-doped and Zr/N codoped TiO 2 anatase nanoparticles …
In this work, we propose a simple and effective preparation procedure to obtain ternary mixed oxides composed of titania (TiO 2, P25), alumina (γ-Al 2 O 3) and calcium oxide …
We have investigated the adsorption and dissociation of hydrogen sulfide (H 2 S) molecule on the pristine and nitrogen-doped TiO 2 anatase nanoparticles using first-principles …
Barium oxide (BaO) is a critical component for a number of materials offering high dielectric constants, high proton conductivity as well as potential applicability in superconductivity. For …
M Balci Leinen, D Dede, MU Khan… - … applied materials & …, 2018 - ACS Publications
Composite systems of P25 (titania) functionalized with thioglycolic acid (TGA)-capped CdTe colloidal quantum dots (QDs) were synthesized, structurally characterized, and …
The structural and electronic properties of N-doped TiO 2 anatase nanoparticles and their effects on the adsorption of formaldehyde molecule have been investigated using the …
Z Say, M Tohumeken, E Ozensoy - Catalysis Today, 2014 - Elsevier
Binary and ternary oxide materials, ZrO 2/TiO 2 (ZT) and Al 2 O 3/ZrO 2/TiO 2 (AZT), as well as their Pt-functionalized counterparts were synthesized and characterized via XRD, Raman …