Recent advance on fundamental properties and synthesis of barium zirconate for proton conducting ceramic fuel cell

AK Nayak, A Sasmal - Journal of Cleaner Production, 2023 - Elsevier
Recently, Perovskite oxides have become the primal components for the establishment of
electrochemical conversion device like Proton conducting Ceramic Fuel Cells (PCFC) …

[HTML][HTML] First-principles insights into the electronic, optical, mechanical, and thermodynamic properties of lead-free cubic ABO3 [A= Ba, Ca, Sr; B= Ce, Ti, Zr] …

M Hasan, S Nasrin, MN Islam, AKM Hossain - AIP Advances, 2022 - pubs.aip.org
A comparative study on mechanical, thermodynamic, electronic, and optical properties has
been performed on various compounds having an ABO 3, where A= Ba, Ca, Sr and B= Ce …

Sr-doped ZnO thin film on a silicon substrate (100) grown by sol-gel method: Structural and optical study

MS Nadeem, M Baoji, MM Alam, NN Riaz… - Optical Materials, 2024 - Elsevier
In the current study, Sr-doped ZnO thin films were fabricated through a sol-gel route on a
silicon substrate (100). The structural, optical, and morphological studies were examined …

DFT study of optoelectronic and thermoelectric properties of cubic Ba2ZrMO6 (M= Ce, Ti) double perovskites

MZ Kazim, M Yaseen, SA Aldaghfag, M Ishfaq… - Journal of Solid State …, 2022 - Elsevier
The full potential linearized augmented plane wave (FP-LAPW) method is used for the
investigation of structural, electronic, optical, and thermoelectric (TE) properties of B site …

Revisiting the structural, electronic and photocatalytic properties of Ti and Zr based perovskites with meta-GGA functionals of DFT

W Zulfiqar, SM Alay-e-Abbas, G Abbas… - Journal of Materials …, 2021 - pubs.rsc.org
The strongly constrained and appropriately normed (SCAN) functional of density functional
theory (DFT) conforms to all possible exact constraints required of a meta-GGA functional …

Structural properties and luminescence dynamics of CaZrO 3: Eu 3+ phosphors

AK Kunti, N Patra, RA Harris, SK Sharma… - Inorganic Chemistry …, 2021 - pubs.rsc.org
In the present work, the effect of Eu3+ doping concentration on the structural and
luminescence properties of Eu3+ doped CaZrO3 red phosphors was investigated. The …

Structural, electronic and optical properties of strontium and nickel co-doped BaTiO3: A DFT based study

M Hasan, AKMA Hossain - Computational Condensed Matter, 2021 - Elsevier
Density functional theory-based investigation of the structural, electronic, and optical
properties of pristine and strontium, nickel doped barium titanate has been carried out by the …

Tailoring the structural and electro-optical properties of avisible-light emitting BaZrO 3 photocatalyst: integrating DFT and comprehensive experimental analysis

S Dubey, V Kumar, K Dubey, C Sahu, A Modi… - Nanoscale, 2024 - pubs.rsc.org
In the present work, the synthesis of BaZrO3 nano-ceramics is explored through flash
combustion utilizing glycine as a fuel. The resulting nanoparticles exhibit a cubic Pmm …

Exploring the impact of hydrostatic pressure on the essential physical properties of BaTiO3 perovskite: A first principles quantum investigation and prospects for …

NH Malik, SH Mirza, S Azam, MF Nasir, M Jawad… - Physica B: Condensed …, 2024 - Elsevier
This research investigates how externally applied hydrostatic pressure ranging from 0 to 100
GPa impacts the cubic BaTiO 3 perovskite compound through computational simulations …

[HTML][HTML] First-principles calculations to investigate HgY2S/Se4 spinel chalcogenides for optoelectronic and thermoelectric applications

GM Mustafa, S Saba, NA Noor, A Laref… - Journal of Materials …, 2023 - Elsevier
Spinel chalcogenides have great potential for optoelectronic and thermoelectric applications
and therefore received huge attention in recent years. In this regard, here we investigate the …