Multifunctional barium titanate ceramics via chemical modification tuning phase structure

C Zhao, Y Huang, J Wu - InfoMat, 2020 - Wiley Online Library
Global environmental concerns on the toxicity of lead‐based piezoelectrics impel the great
mass fervor on investigations of lead‐free alternatives. Barium titanate (BaTiO3, BT) …

Defects and aliovalent do** engineering in electroceramics

Y Feng, J Wu, Q Chi, W Li, Y Yu, W Fei - Chemical reviews, 2020 - ACS Publications
Since the positive influences of defects on the performance of electroceramics were
discovered, investigations concerning on defects and aliovalent do** routes have grown …

Alloying and defect control within chalcogenide perovskites for optimized photovoltaic application

W Meng, B Saparov, F Hong, J Wang… - Chemistry of …, 2016 - ACS Publications
Through density functional theory calculations, we show that the alloy perovskite system
BaZr1–x Ti x S3 (x< 0.25) is a promising candidate for producing high power conversion …

Influence of Sm do** on structural, ferroelectric, electrical, optical and magnetic properties of BaTiO3

A Kumari, K Kumari, F Ahmed, A Alshoaibi, PA Alvi… - Vacuum, 2021 - Elsevier
We have investigated the structural, ferroelectric, dielectric and magnetic properties of Sm
doped BaTiO 3 ceramics. The compositions of B a 1− x S mx T i O 3,(0.0≤ x≤ 0.05) were …

Computational strategies for polymer dielectrics design

CC Wang, G Pilania, SA Boggs, S Kumar, C Breneman… - Polymer, 2014 - Elsevier
The present contribution provides a perspective on the degree to which modern
computational methods can be harnessed to guide the design of polymeric dielectrics. A …

Defect engineering in perovskite oxide thin films

Y Sun, J Yang, S Li, D Wang - Chemical Communications, 2021 - pubs.rsc.org
Perovskite oxide thin films are a category of multifunctional materials that have intriguing
electrical, magnetic, and photovoltaic properties that can be harnessed combinatorially in …

[HTML][HTML] Structure and enhanced dielectric temperature stability of BaTiO3-based ceramics by Ca ion B site-do**

X Jiang, H Hao, Y Yang, E Zhou, S Zhang, P Wei… - Journal of …, 2021 - Elsevier
Capacitor is an important part of many electronic devices, so the temperature stability as one
key parameter of capacitor needs to be improved constantly for meeting the requirements of …

Machine learning substitutional defect formation energies in ABO3 perovskites

V Sharma, P Kumar, P Dev, G Pilania - Journal of Applied Physics, 2020 - pubs.aip.org
Perovskite oxides are a promising material platform for use in a wide range of technological
applications including electronics, sensors, fuel cells, and catalysis. This is owing to the …

Insight into the Effect of Anionic–Anionic Co-Do** on BaTiO3 for Visible Light Photocatalytic Water Splitting: A First-Principles Hybrid Computational Study

S Goumri-Said, MB Kanoun - Catalysts, 2022 - mdpi.com
In this research, we thoroughly studied the electronic properties and optical absorption
characteristics with double-hole coupling of anions–anion combinations for designing …

Evolution of different defect clusters in Eu 3+ doped KMgF 3 and Eu 3+, Li+ co-doped KMgF 3 compounds and the immediate impact on the phosphor characteristics

N Pathak, S Mukherjee, D Das, D Dutta… - Journal of Materials …, 2020 - pubs.rsc.org
Defects in the lattice have both positive and negative implications for the optical properties of
light emitting materials and a great effort is required to understand the defect structure …