Proton-polaron and thermionic identity of BaCeO3 polymorph for intermediate temperature fuel cell technology: A first principles and molecular dynamics approach

D Vignesh, MK Gupta, R Mittal, E Rout - International Journal of Hydrogen …, 2024 - Elsevier
This study employs first principles and classical molecular dynamics approach to investigate
distinct proton landscape and scattering events among aristotype and hettotype BaCeO 3 …

Custom Hybrid Activation Function over Delocalization Error for Gap State Predictions of A2CeZrO6 (A = Ba2+, Sr2+, Ca2+, Mg2+) Proton Conductors: A First …

D Vignesh, E Rout - The Journal of Physical Chemistry C, 2024 - ACS Publications
The crystal symmetry and band structure are two essential identifiers for a desirable proton-
conducting electrolyte in fuel cell technology. However, structural and electrophysical …

Magnetic field-assisted adsorption of phosphate on biochar loading amorphous Zr–Ce (carbonate) oxide composite

C Liu, W Ju, Y Wang, S Dong, X Li, X Fan… - Environmental Research, 2024 - Elsevier
For metal-based phosphate adsorbents, the dispersity and utilization of surface metal active
sites are crucial factors in their adsorption performance and synthesis cost. In this study, a …

Investigation of structural and optoelectronic integrity of Sm3+ doped CaWO4 for LED applications

P Yadav, D Vignesh, M Patnaik, M Priyadarshani… - Ceramics …, 2024 - Elsevier
In this study we illustrate the structural, electronic and optical integrity of Ca 1-x Sm (2/3) x
WO 4 (x= 0.00, 0.02, 0.04, 0.06 and 0.08) crystals for optoelectronic applications via …

Defect scattering and thermionic landscape of acceptor doped BaCeO3 polymorph for intermediate temperature fuel cell technology

D Vignesh, E Rout - Ceramics International, 2024 - Elsevier
Trade-off parameters (proton conductivity and chemical stability) among standalone and
acceptor-doped proton-conducting electrolytes hinder their practical utility within the fuel cell …

Sr-Yb Co-do** of BaCe0.4Zr0.6O3 Proton-Conducting Electrolyte for Solid Oxide Fuel Cells

J Cheng, L Xu, H Liang - Journal of Electronic Materials, 2024 - Springer
Abstract Ba0. 9Sr0. 1Ce0. 4Zr0. 6− x Yb x O3− δ (x= 0.05, 0.1, 0.15, 0.2) proton-conducting
electrolyte powders were synthesized by the nitrate combustion method. The effects of co …