Comprehensive investigation of crystallographic, spin-electronic and magnetic structure of (Co0. 2Cr0. 2Fe0. 2Mn0. 2Ni0. 2) 3O4: Unraveling the suppression of …

A Sarkar, B Eggert, R Witte, J Lill, L Velasco, Q Wang… - Acta Materialia, 2022 - Elsevier
High entropy oxides (HEOs) are a rapidly emerging class of functional materials consisting
of multiple principal cations. The original paradigm of HEOs assumes cationic occupations …

Prediction of structure and cation ordering in an ordered normal-inverse double spinel

G Pilania, V Kocevski, JA Valdez, CR Kreller… - Communications …, 2020 - nature.com
Spinels represent an important class of technologically relevant materials, used in diverse
applications ranging from dielectrics, sensors and energy materials. While solid solutions …

Synthesis, characterization, and evaluation of superparamagnetic doped ferrites as potential therapeutic nanotools

A Pardo, B Pelaz, J Gallo, M Banobre-Lopez… - Chemistry of …, 2020 - ACS Publications
Magnetic nanoparticles (MNPs) are one of the most promising candidates for their use as
theranostic agents in the biomedical field due to their potential as contrast agents in …

First-principles study of the inversion thermodynamics and electronic structure of (thio)spinels (, Mn, Co, Ni; , S)

D Santos-Carballal, A Roldan, R Grau-Crespo… - Physical Review B, 2015 - APS
Fe M 2 X 4 spinels, with the magnetite structure, where M is a transition metal and X is
oxygen or sulfur, are candidate materials for spin filters, one of the key devices in …

Bipolar self-doping in ultra-wide bandgap spinel ZnGa2O4

Z Chi, FG Tarntair, M Frégnaux, WY Wu, C Sartel… - Materials Today …, 2021 - Elsevier
The spinel group is a growing family of materials with general formulation AB 2 X 4 (the X
anion typically being a chalcogen like O and S) with many advanced applications for energy …

Inverse and distorted Co 2 SnO 4 cubic spinel thin films for dimethylamine detection at room temperature

S Nallakumar, L Thirumalaisamy… - New Journal of …, 2023 - pubs.rsc.org
The widespread presence of volatile organic compounds (VOCs) is a threat to human health
and environmental air quality. Dimethylamine is a highly toxic amine, which can directly …

[图书][B] CRC concise encyclopedia of nanotechnology

BI Kharisov, OV Kharissova, U Ortiz-Mendez - 2016 - books.google.com
The book examines the design, application, and utilization of devices, techniques, and
technologies critical to research at the atomic, molecular, and macromolecular levels …

Universal Electrostatic Origin of Cation Ordering in A2BO4 Spinel Oxides

V Stevanovic, M d'Avezac, A Zunger - Journal of the American …, 2011 - ACS Publications
The crystal structures of A2BO4 spinel oxides are classified as either normal or inverse,
representing different distributions of the A and B cations over the tetrahedrally and …

First-Principles Study of Pressure-Induced Phase Transitions and Electronic Properties of Ag2MoO4

A Beltran, L Gracia, E Longo… - The Journal of Physical …, 2014 - ACS Publications
We have performed a systematic first-principles investigation by using the density functional
formalism with the nonlocal B3LYP approximation to calculate structural and electronic …

Relation between cation distribution and chemical bonds in spinel NiFe2O4

Y Fang, S Zhang, PR Ohodnicki, G Wang - Materials Today …, 2022 - Elsevier
In spinel oxides, the cation distribution plays an important role in determining their
technologically important properties. Herein computational predictions based on the first …