scholarly journals Computational investigation of chalcogenide spinel conductors for all-solid-state Mg batteries

2020 ◽  
Vol 56 (13) ◽  
pp. 1952-1955 ◽  
Author(s):  
Julius Koettgen ◽  
Christopher J. Bartel ◽  
Gerbrand Ceder
Keyword(s):  
Solid State ◽  
Spinel Structure ◽  
Critical Size ◽  
Computational Investigation ◽  
Chalcogenide Spinel

Lanthanoid cations enable fast Mg2+ mobility in spinel chalcogenides but destabilize the spinel structure beyond a critical size.

scholarly journals Computational Investigation of Chalcogenide Spinel Conductors for All-Solid-State Mg Batteries

2019 ◽  
Author(s):  
Julius Koettgen ◽  
Christopher Bartel ◽  
Gerbrand Ceder
Keyword(s):  
Density Functional Theory ◽  
Solid State ◽  
Spinel Structure ◽  
Density Functional ◽  
Computational Investigation ◽  
Functional Theory ◽  
Chalcogenide Spinel

We report seven new MgLn<sub>2</sub>X<sub>4</sub> (Ln = lanthanoid, X = S, Se) spinels that have low barriers for Mg migration (< 380 meV) and are stable or nearly stable (within 50 meV/atom of stability with respect to competing structures and compositions) as calculated with density functional theory. As the size of the Ln increases, Mg mobility is found to increase, but stability in the spinel structure is found to decrease.

scholarly journals Computational Investigation of Chalcogenide Spinel Conductors for All-Solid-State Mg Batteries

2019 ◽  
Author(s):  
Julius Koettgen ◽  
Christopher Bartel ◽  
Gerbrand Ceder
Keyword(s):  
Density Functional Theory ◽  
Solid State ◽  
Spinel Structure ◽  
Density Functional ◽  
Computational Investigation ◽  
Functional Theory ◽  
Chalcogenide Spinel

We report seven new MgLn<sub>2</sub>X<sub>4</sub> (Ln = lanthanoid, X = S, Se) spinels that have low barriers for Mg migration (< 380 meV) and are stable or nearly stable (within 50 meV/atom of stability with respect to competing structures and compositions) as calculated with density functional theory. As the size of the Ln increases, Mg mobility is found to increase, but stability in the spinel structure is found to decrease.

Dielectric and Magnetic Properties of BaTiO3/NiFe2O4 Composites

2007 ◽  
Vol 336-338 ◽  
pp. 377-380 ◽  
Author(s):  
Jian Hong Shen ◽  
Ji Zhou ◽  
Xue Min Cui ◽  
Yue Hui Wang
Keyword(s):  
Dielectric Constant ◽  
Magnetic Properties ◽  
Solid State ◽  
Spinel Structure ◽  
Initial Permeability ◽  
Solid State Route ◽  
Permittivity And Permeability ◽  
Xrd Studies ◽  
Two Phases ◽  
Conventional Solid State Route

A series of ferrroelectric-ferromagnetic composites were synthesized from BaTiO3 and NiFe2O4 ferrite by conventional solid-state route. XRD studies indicated that the composites comprised of only two phases, BaTiO3 phase with perovskite structure and NiFe2O4 phase with spinel structure. Frequency dependence of permittivity and permeability were also measured. Experimental results showed that the dielectric constant and initial permeability of these composites could be tunable by varying the composition of composites. Thus, these composites can be used for multilayer chips EMI filters.

scholarly journals Computational Investigation of Halogen-Substituted Na Argyrodites as Solid-State Superionic Conductors

2020 ◽  
Vol 32 (5) ◽  
pp. 1896-1903
Author(s):  
Bin Ouyang ◽  
Yan Wang ◽  
Yingzhi Sun ◽  
Gerbrand Ceder
Keyword(s):  
Solid State ◽  
Superionic Conductors ◽  
Computational Investigation

scholarly journals Synthesis and Electrochemical Properties of Lithium Titanate Anode Materials Powders by Solid State Reaction of Li and Spherical TiO2 Powders

2011 ◽  
Vol 485 ◽  
pp. 119-122
Author(s):  
Motofumi Yamada ◽  
Hiroshi Kawaguchi ◽  
Takayuki Kodera ◽  
Takashi Ogihara
Keyword(s):  
Solid State ◽  
Solid State Reaction ◽  
Spinel Structure ◽  
Anode Materials ◽  
Lithium Titanate ◽  
Initial Discharge Capacity ◽  
Composite Powders ◽  
Particle Characteristics ◽  
Initial Discharge ◽  
Acid Aqueous Solution

Li4Ti5O12 powders were synthesized by solid state reaction of Li2CO3 and spherical composite powders of carbon and TiO2 (denoted as C/TiO2). C/TiO2 powders were synthesized by spray pyrolysis of using lactic acid aqueous solution. The particle characteristics of Li4Ti5O12 powders were determined by SEM, XRD and DTA-TG. DTA-TG showed that the carbon content was around 8 wt% in Li4Ti5O12 powders. XRD revealed that the spinel structure (Fd3m) was obtained by heating at 750 °C under N2 atmosphere. The first rechargeable capacity of Li4Ti5O12 anode was about 160 mAh/g at 1 C. That of Li4Ti5O12 anode decreased to 90 mAh/g at 20 C. The rechargeable capacity of Li4Ti5O12 anode decreased with increasing the rechargeable rate, but 81% of initial discharge capacity of Li4Ti5O12 anode was retained after 200 cycles at 1C

scholarly journals Mixed-Oxide Catalysts with Spinel Structure for the Valorization of Biomass: The Chemical-Loop Reforming of Bioethanol

Catalysts ◽  
2018 ◽  
Vol 8 (8) ◽  
pp. 332 ◽  
Author(s):  
Olena Vozniuk ◽  
Tommaso Tabanelli ◽  
Nathalie Tanchoux ◽  
Jean-Marc Millet ◽  
Stefania Albonetti ◽  
...  
Keyword(s):  
Solid State ◽  
Spinel Structure ◽  
Mixed Oxides ◽  
Building Blocks ◽  
Short Review ◽  
Solid State Chemistry ◽  
Spinel Type ◽  
Mixed Oxide Catalysts ◽  
Versatile Tool ◽  
Review Reports

This short review reports on spinel-type mixed oxides as catalysts for the transformation of biomass-derived building blocks into chemicals and fuel additives. After an overview of the various methods reported in the literature for the synthesis of mixed oxides with spinel structure, the use of this class of materials for the chemical-loop reforming of bioalcohols is reviewed in detail. This reaction is aimed at the production of H2 with intrinsic separation of C-containing products, but also is a very versatile tool for investigating the solid-state chemistry of spinels.

Towards a lattice-matching solid-state battery: synthesis of a new class of lithium-ion conductors with the spinel structure

2013 ◽  
Vol 15 (16) ◽  
pp. 6107 ◽  
Author(s):  
Fabio Rosciano ◽  
Paolo P. Pescarmona ◽  
Kristof Houthoofd ◽  
Andre Persoons ◽  
Patrick Bottke ◽  
...  
Keyword(s):  
Solid State ◽  
Spinel Structure ◽  
Lithium Ion ◽  
Lattice Matching ◽  
New Class ◽  
Solid State Battery ◽  
Lithium Ion Conductors ◽  
Ion Conductors

Influence of milling time in solid-state synthesis on structure, morphology and electrochemical properties of Li4Ti5O12 of spinel structure

2014 ◽  
Vol 266 ◽  
pp. 372-377 ◽  
Author(s):  
Monika Michalska ◽  
Michał Krajewski ◽  
Dominika Ziolkowska ◽  
Bartosz Hamankiewicz ◽  
Mariusz Andrzejczuk ◽  
...  
Keyword(s):  
Solid State ◽  
Electrochemical Properties ◽  
Spinel Structure ◽  
Milling Time ◽  
Solid State Synthesis ◽  
Structure Morphology
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