Tuning electronic structure and optical properties of ZnO monolayer by Cd do**

C Tan, D Sun, D Xu, X Tian, Y Huang - Ceramics International, 2016 - Elsevier
Structural, electronic and optical properties of Cd-doped ZnO monolayer have been
investigated using first-principles density-functional theory based on the local density …

The interaction between oxygen vacancies and do** atoms in ZnO

X Si, Y Liu, X Wu, W Lei, J Xu, W Du, T Zhou, J Lin - Materials & Design, 2015 - Elsevier
Three different kinds of typical p-type impurities,(Ag, N and K) ZnO crystals, with and without
oxygen vacancy are studied, respectively. The lattice structure, band structure, density of …

Noble metal dopants modified two-dimensional zinc oxide: Electronic structures and magnetic properties

L Chen, X Zhang, Z ** on the electronic structure and optical properties of ZnO monolayer
has been studied by first-principles density functional theory. The calculated negative …

Hierarchical polyaniline microspheres loading on flexible PET films for NH 3 sensing at room temperature

S Bai, J Ye, R Luo, A Chen, D Li - RSC advances, 2016 - pubs.rsc.org
Hierarchical polyaniline microspheres were prepared on polyethylene terephthalate (PET)
film by facile and rapid in situ chemical oxidative polymerization of aniline, in the presence of …

Tunable electronic and magnetic properties of 3d transition metal ion-doped monolayer graphitic-ZnO: An ab-initio calculation

S Ghosh, S Moshat, D Sanyal - International Journal of Modern …, 2024 - World Scientific
Electronic and magnetic properties of transition metal (TM) ion-doped monolayer zinc oxide
(ML-ZnO) have been analyzed using ab-initio calculations in the frame work of density …

[PDF][PDF] A DFT Investigation of RE (Ce, Dy, Eu) Doped Monolayer ZnO for Potential Application in Dye Sensitized Solar Cells Application

IM Kahura, K Sharon, WM Mulwa - Nanoscience and …, 2024 - researchgate.net
Utilizing density functional theory (DFT), a comparative study has been performed on
monolayer ZnO (M-ZnO) doped with rare earth elements (RE= Ce, Dy and Eu) for potential …

[PDF][PDF] DFT study of carbon monoxide adsorption on zinc oxide nanocone

M Hadizadeh - Bulg. Chem. Commun, 2016 - researchgate.net
The adsorption of CO molecules on ZnO-NC is investigated using density functional theory
in terms of structural, energetic and electronic properties. The results showed that when …