Influence of Ca doping in structural, electronic, optical and mechanical properties of Ba1−xCaxTiO3 perovskite from first-principles investigation

Z Hasan, MA Rahman, DK Das, HK Rouf - Scientific Reports, 2023 - nature.com
Nowadays, perovskite materials are well known for electronics and optoelectronics
applications. We have investigated a potential candidate for those applications to compare …

Spectroscopic properties, conduction processes and the Summerfield scaling of barium titanate ceramics based on Bi and Fe

H Gouadria, T Mnasri, AP Jamale, JL Sánchez… - Inorganic Chemistry …, 2023 - Elsevier
In this study, the effects of Bi and Fe on the optical and electrical qualities of BaTiO 3 made
with the sol-gel method are examined. On the one hand, UV-visible spectroscopy is used to …

Computational evaluation of KMgO3-xHx as an efficient hydrogen storage material

MA Ullah, KN Riaz, M Rizwan - Journal of Energy Storage, 2023 - Elsevier
In this present work, Density Functional Theory (DFT) calculations have been performed for
perovskite KMg O 3− x H x with the GGA-PBE formalism as implemented in the CASTEP …

Enhanced Photocatalytic and Anticancer Activity of Zn-Doped BaTiO3 Nanoparticles Prepared through a Green Approach Using Banana Peel Extract

M Ahamed, MAM Khan - Catalysts, 2023 - mdpi.com
Perovskite barium titanate (BaTiO3) has received a lot of interest due to its extraordinary
dielectric and ferroelectric properties, along with its moderate biocompatibility. Here, we …

Multi-cation doped CuCrO2 crystallite matrix: Exploring bandgap tunability through Ni-Zn and Ni-Zn-Mg doping for optoelectronic application

JS PK, M Shah, PP Pradyumnan - Optical Materials, 2024 - Elsevier
Bandgap tuning is a key approach to optimizing materials for advanced technologies,
enabling the development of more efficient and specialized devices. In this study, we …

Yttria activated lanthanum-barium titanate ceramic electrode for fast charging supercapacitor applications

R Ravanamma, R Nirlakalla, VK Kummara… - Journal of Molecular …, 2023 - Elsevier
Abstract Lanthanum oxide (La 2 O 3) and Yttria (Y 2 O 3) activated lanthanum-barium-
titanate Ba (60-x) Ti (40-y) La x Y y O 3 (BTLa 10 Y 10), nanoceramics were investigated for …

Enhancing dielectric properties and thermal stability in microwave-synthesized Nd-modified barium titanate nanoceramics for possible MLCC applications

MS Alkathy, FP Milton, MK Gatasheh, FL Zabotto… - Applied Physics A, 2024 - Springer
In pursuing enhanced performance for electronic applications, we synthesized ferroelectric
materials, specifically Ba (1-x) Nd2x/3TiO3 (BNdTx) nanoceramics, utilizing solid-state …

Structural and optical properties of gadolinium doped barium titanate nano-crystal for multifunctional nanodevices

R Kumari, S Kumari, E Sharma, S Kumari, J Dalal… - Optical Materials, 2023 - Elsevier
Barium titanate has been the subject of extensive research due to its interesting electronic,
optical, and ferroelectric properties, and its potential for use in various technological …

Optimised structural, electronic, optical and mechanical properties of SrTiO3-xHx for photovoltaic applications: a DFT insight

M Zaman, MA Rehman, I Zeba, S Zafar… - Molecular …, 2024 - Taylor & Francis
Density Functional Theory (DFT) computations, by CASTEP code with GGA-PBE correlation
functional, for SrTiO3-xHx have been carried out to compute elastic, mechanical, structural …

Investigation of electrical, dielectric and multiferroic properties of 0.7 Bi0. 95Sm0. 05Fe1-xGaxO3-0.3 BaTiO3 composite ceramic system for high temperature …

F Jabeen, NK Gupta, MS Khan, R Pandey… - Materials Today …, 2024 - Elsevier
Abstract Lead-free composite ceramics, 0.7 Bi 0.95 Sm 0.05 Fe 1-x Ga x O 3-0.3 BaTiO 3
(BSFG x-BT), were made using a solid-state reaction method for x= 2.5, 5, 10, 15, and 20 …