Optical investigation and computational modelling of BaTiO3 for optoelectronic devices applications

MG Elmahgary, AM Mahran, M Ganoub… - Scientific Reports, 2023‏ - nature.com
ABX3 perovskite-based materials have attracted research attention in various electronic and
optoelectronic applications. The ability to tune the energy band gap through various dopants …

Impact of Cr do** on the structural and optoelectronic properties of a CsPbIBr 2 perovskite solar cell

MI Khan, A Mujtaba, S Hussain, A Hussain… - New Journal of …, 2024‏ - pubs.rsc.org
Metal halide perovskites, particularly the cesium lead iodide bromide (CsPbIBr2)
composition, have become more and more popular in solar applications because of their …

Enhancing Structure Stability by Mg/Cr Co‐Doped for High‐Voltage Sodium‐Ion Batteries

X Xu, S Hu, Q Pan, Y Huang, J Zhang, Y Chen, H Wang… - Small, 2024‏ - Wiley Online Library
Abstract P2‐Na2/3Ni1/3Mn2/3O2 cathode materials have garnered significant attention due
to their high cationic and anionic redox capacity under high voltage. However, the challenge …

Effects of La-N Co-Do** 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
In cation–anion co-do**, rare earth elements excel at regulating the electronic structure of
perovskites, leading to their improved photocatalytic performance. In this regard, the impact …

First-principles investigations and Monte Carlo simulation of Ti and Cr-doped w-ZnO and (Ti, Cr) co-doped w-ZnO based magnetic semiconductors: Materials for …

AA M'hid, M Boughrara, G Li, M Kerouad… - Journal of Magnetism and …, 2024‏ - Elsevier
This research paper investigates the electronic structure and magnetic properties of Ti-
doped ZnO (Zn 1− x Ti x O), Cr-doped ZnO (Zn 1− x Cr x O) and (Ti, Cr)-codoped ZnO (Zn 1 …

Overview of the Structural, Electronic and Optical Properties of the Cubic and Tetragonal Phases of PbTiO3 by Applying Hubbard Potential Correction

I Derkaoui, M Achehboune, RI Eglitis, AI Popov… - Materials, 2023‏ - mdpi.com
We have performed a systematic study resulting in detailed information on the structural,
electronic and optical properties of the cubic (P m 3¯ m) and tetragonal (P 4mm) phases of …

Structural refinement, dielectric and ferroelectric properties of Cr modified Ba0· 90Sr0· 10TiO3 ceramics

R Choudhary, S Sachdev, S Chahal, V Singh… - Ceramics …, 2024‏ - Elsevier
In this study, we investigated the impact of Chromium substitution on the structural, dielectric
and ferroelectric characteristics of Ba 0· 90 Sr 0· 10 Ti 1-3x/4 Cr x O 3 (x= 0, 0.005, 0.010 …

First-principles calculations to investigate impact of do** by chalcogen elements on the electronic, structural, and optical properties of SrTiO3 compounds

A Ou-Khouya, IA Brahim, H Ez-Zahraouy, A Houba… - Chemical Physics, 2024‏ - Elsevier
Do** techniques are commonly utilized to effectively modify the physical properties of a
desired compound. In this study, we employed the first-principles DFT calculations with a …

Optimization of (Ba1− xCax)(Ti0. 9Sn0. 1) O3 ceramics in X-band using machine learning

AP Dikshit, D Das, RR Samal, K Parashar… - Journal of Alloys and …, 2024‏ - Elsevier
Develo** efficient electromagnetic interference shielding materials has become
significantly important in present times. This paper reports a series of (Ba 1− x Ca x)(Ti 0.9 …