[HTML][HTML] DFT+ U calculations for electronic, structural, and optical properties of ZnO wurtzite structure: A review

K Harun, NA Salleh, B Deghfel, MK Yaakob… - Results in Physics, 2020 - Elsevier
This review aims to briefly outline the Hubbard-U scheme and to investigate the effect of its
inclusion in standard Density Functional Theory on electronic, structural, and optical …

Sol–gel synthesized ZnO for optoelectronics applications: a characterization review

K Harun, F Hussain, A Purwanto… - Materials research …, 2017 - iopscience.iop.org
The rapid growth in green technology has resulted in a marked increase in the incorporation
of ZnO in energy and optoelectronic devices. Research involving ZnO is being given …

[HTML][HTML] Elucidation of the highest valence band and lowest conduction band shifts using XPS for ZnO and Zn0. 99Cu0. 01O band gap changes

N Kamarulzaman, MF Kasim, NF Chayed - Results in Physics, 2016 - Elsevier
Abstract ZnO and Zn 0.99 Cu 0.01 O nanostructures were prepared by a simple sol–gel
method. The band gaps of the materials were systematically studied based on the …

The interplay between morphology and photocatalytic activity in ZnO and N-doped ZnO crystals

G Byzynski, C Melo, DP Volanti, MM Ferrer… - Materials & Design, 2017 - Elsevier
Intrinsic characteristics of the material such as superficial area, morphological structure, and
crystalline phase exposition play a fundamental role in the corresponding reaction paths …

Investigation of the structural, optical and magnetic properties of Fe doped ZnO thin films coated on glass by sol-gel spin coating method

P Ariyakkani, L Suganya, B Sundaresan - Journal of Alloys and …, 2017 - Elsevier
Fe doped ZnO thin films with varying Fe concentrations say 0, 3, 5, 7, 10, 15, and 20 at%
were prepared on the glass substrate by sol-gel spin coating technique and their structural …

The investigation of Ce doped ZnO crystal: the electronic, optical and magnetic properties

JQ Wen, JM Zhang, ZG Qiu, X Yang, ZQ Li - Physica B: Condensed Matter, 2018 - Elsevier
The electronic, optical and magnetic properties of Ce doped ZnO crystal have been studied
by using first principles method. The research of formation energies show that Ce doped …

High-performance ultraviolet-visible driven ZnO morphologies photocatalyst obtained by microwave-assisted hydrothermal method

G Byzynski, AP Pereira, DP Volanti, C Ribeiro… - … of Photochemistry and …, 2018 - Elsevier
The use of extensive, time-consuming synthesis and the cost of an additional element in
synthesis makes difficult the synthesis of photocatalyst active under a broad wavelength …

Investigation of 4f‐Related Electronic Transitions of Rare‐Earth Doped ZnO Luminescent Materials: Insights from First‐Principles Calculations

L He, J Meng, J Feng, F Yao, L Zhang… - …, 2020 - Wiley Online Library
Rare‐earth (RE) doped zinc oxides (ZnO) are regarded as promising materials for
application in versatile color‐tuned devices. However, the understanding of underlying …

Magnetic properties in Fe-doped SnS2: Density functional calculations

L Sun, W Zhou, Y Liang, L Liu, P Wu - Computational Materials Science, 2016 - Elsevier
The structural and magnetic properties of Fe-doped SnS 2 have been systematically
investigated using the density functional theory calculations. The results show that Fe-doped …

Structural and magnetic properties and DFT analysis of ZnO:(Al, Er) nanoparticles

M Bououdina, S Azzaza, R Ghomri, MN Shaikh… - RSC …, 2017 - pubs.rsc.org
The structural, optical and electrical properties of un-doped and (Al, Er) co-doped zinc oxide
(ZnO) powders synthesized by hydrothermal method were investigated. The obtained …