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 …

Nitrogen/fluorine-codoped rutile titania as a stable oxygen-evolution photocatalyst for solar-driven Z-scheme water splitting

A Miyoshi, JJM Vequizo, S Nishioka, Y Kato… - Sustainable Energy & …, 2018 - pubs.rsc.org
Nitrogen/fluorine-codoped rutile TiO2 (R-TiO2: N, F) was newly synthesized, and its
photocatalytic activity for water oxidation was evaluated. R-TiO2: N, F could be prepared by …

Extraordinary changes in the electronic structure and properties of CdS and ZnS by anionic substitution: Cosubstitution of P and Cl in place of S

S Kouser, SR Lingampalli, P Chithaiah… - Angewandte Chemie …, 2015 - Wiley Online Library
Unlike cation substitution, anion substitution in inorganic materials such as metal oxides and
sulfides would be expected to bring about major changes in the electronic structure and …

First-principles theory, coarse-grained models, and simulations of ferroelectrics

UV Waghmare - Accounts of Chemical Research, 2014 - ACS Publications
Conspectus A ferroelectric crystal exhibits macroscopic electric dipole or polarization arising
from spontaneous ordering of its atomic-scale dipoles that breaks inversion symmetry …

[HTML][HTML] Effects of Sn4+ and Ta5+ dopant concentration on dielectric and electrical properties of TiO2: Internal barrier layer capacitor effect

Y Mingmuang, N Chanlek, P Moontragoon… - Results in Physics, 2022 - Elsevier
Abstract The (Sn 1/2 Ta 1/2) x Ti 1-x O 2.0125 (SnT–TO) ceramics with x= 1.0–5.0% were
prepared by a standard mixed–oxide method. The sintered ceramics showed highly dense …

Notable effects of aliovalent anion substitution on the electronic structure and properties of metal oxides and sulfides

CNR Rao - The Journal of Physical Chemistry Letters, 2015 - ACS Publications
Although it is customary to substitute cations in metal oxides, sulfides, and other materials to
modify their structure and properties, effects of anion substitution have not been investigated …

Effect of Nitrogen and Fluorine Co‐substitution on the Structure and Magnetic Properties of Cr2O3

J Pan, UV Waghmare, N Kumar… - …, 2015 - Wiley Online Library
First‐principles density functional calculations were carried out to determine the structure as
well as electronic and magnetic properties of N and F co‐substituted Cr2O3. The formation …

First-principles study on the electric control of ferromagnetic behaviour of two-dimensional BaTiO3 (0 0 1) ultrathin film doped with Cr

H Gao, Y Qian, S Ye, K Kong - Applied Surface Science, 2022 - Elsevier
The electric control of a two-dimensional BaTiO 3 (0 0 1) ultrathin film doped with Cr was
studied using the first-principles approach. The findings demonstrate that electric …

Dielectric transition and ferroelectric properties of graphene oxide-barium titanate nanocomposites

T Kavinkumar, P Senthilkumar, S Dhanuskodi… - Journal of the European …, 2017 - Elsevier
Graphene oxide (GO)-barium titanate (BT) composite was prepared through sonication
process at room temperature. The temperature dependent dielectric properties and …

Design of efficient photocatalysts through band gap engineering

MM Ayyub, CNR Rao - Nanostructured Photocatalysts, 2020 - Elsevier
Designing an efficient catalyst for reactions that might solve the energy crisis is the need of
the hour. Generating hydrogen by splitting of water and reduction of carbon dioxide are two …