NDLI: Influence of phase transitions and defect associates on the oxygen migration in the ion conductor Na1/2Bi1/2TiO3

Please wait, while we are loading the content...

In situ electrochemical formation of core–shell nickel–iron disulfide and oxyhydroxide heterostructured catalysts for a stable oxygen evolution reaction and the associated mechanisms

Metal-functionalized covalent organic frameworks as precursors of supercapacitive porous N-doped graphene

Enhanced adsorption capacity of ultralong hydrogen titanate nanobelts for antibiotics

Li-ion and Na-ion transportation and storage properties in various sized TiO₂ spheres with hierarchical pores and high tap density

Influence of phase transitions and defect associates on the oxygen migration in the ion conductor Na_1/2Bi_1/2TiO₃

Solvent engineering for forming stonehenge-like PbI₂ nano-structures towards efficient perovskite solar cells

Few-layer MoS₂ flakes as a hole-selective layer for solution-processed hybrid organic hydrogen-evolving photocathodes

A highly torsionable fiber-shaped supercapacitor

Oxygen-induced doping on reduced PEDOT

Highly reversible sodium storage in a GeP₅/C composite anode with large capacity and low voltage

Bimetallic Cu–Pd alloy multipods and their highly electrocatalytic performance for formic acid oxidation and oxygen reduction

Designing strategies to tune reduction potential of organic molecules for sustainable high capacity battery application

Phosphate modified ceria as a Brønsted acidic/redox multifunctional catalyst

Toward high energy density cathode materials for sodium-ion batteries: investigating the beneficial effect of aluminum doping on the P2-type structure

Nanoscale zero-valent iron in mesoporous carbon (nZVI@C): stable nanoparticles for metal extraction and catalysis

Photoelectrochemical hydrogen evolution from water on a surface modified CdTe thin film electrode under simulated sunlight

Long-range charge transfer and oxygen vacancy interactions in strontium ferrite

Pyrolysis of conjugated nanoporous polycarbazoles to mesoporous N-doped carbon nanotubes as efficient electrocatalysts for the oxygen reduction reaction

Template synthesis of CoSe₂/Co₃Se₄ nanotubes: tuning of their crystal structures for photovoltaics and hydrogen evolution in alkaline medium

Degradation mechanism of planar-perovskite solar cells: correlating evolution of iodine distribution and photocurrent hysteresis

3D graphene network encapsulating SnO₂ hollow spheres as a high-performance anode material for lithium-ion batteries

Controllable sulfuration engineered NiO nanosheets with enhanced capacitance for high rate supercapacitors

Effect of oxidative surface treatments on charge storage at titanium nitride surfaces for supercapacitor applications

Pt nanoparticles grown on 3D RuO₂-modified graphene architectures for highly efficient methanol oxidation

Photo-driven synthesis of polymer-coated platinized ZnO nanoparticles with enhanced photoelectrochemical charge transportation

Ultrasmall MoS₂ embedded in carbon nanosheets-coated Sn/SnO_x as anode material for high-rate and long life Li-ion batteries

Flexible thermally treated 3D PIM-CD molecular sieve membranes exceeding the upper bound line for propylene/propane separation

Electrochemical properties and structural evolution of O3-type layered sodium mixed transition metal oxides with trivalent nickel

Dual modification of TiNb₂O₇ with nitrogen dopants and oxygen vacancies for selective aerobic oxidation of benzylamine to imine under green light

Nanofiber multilayer membranes with tailored nanochannels prepared by molecular layer-by-layer assembly for high throughput separation

MnO₂ nanoflowers and polyaniline nanoribbons grown on hybrid graphene/Ni 3D scaffolds by in situ electrochemical techniques for high-performance asymmetric supercapacitors

Effect of fixed charge group concentration on equilibrium ion sorption in ion exchange membranes

Selective and simultaneous removal of dibenzothiophene and 4-methyldibenzothiophene using double-template molecularly imprinted polymers on the surface of magnetic mesoporous silica

Effects of composition and nanostructuring of palladium selenide phases, Pd₄Se, Pd₇Se₄ and Pd₁₇Se₁₅, on ORR activity and their use in Mg–air batteries

Exploring simple ancillary ligands in copper-based dye-sensitized solar cells: effects of a heteroatom switch and of co-sensitization

Surface functionalization of high free-volume polymers as a route to efficient hydrogen separation membranes

A facile and green synthesis of colloidal Cu₂ZnSnS₄ nanocrystals and their application in highly efficient solar water splitting

Compositional tailoring effect on electric field distribution for significantly enhanced breakdown strength and restrained conductive loss in sandwich-structured ceramic/polymer nanocomposites

Pencil-drawing assembly to prepare graphite/MWNT hybrids for high performance integrated paper supercapacitors

In situ growth of α-Fe₂O₃ nanorod arrays on 3D carbon foam as an efficient binder-free electrode for highly sensitive and specific determination of nitrite

Inside back cover

Back cover

Journal of Materials Chemistry A Vol - 5 Issue - 8

Journal of Materials Chemistry A Vol - 5 Issue - 7

Journal of Materials Chemistry A Vol - 5 Issue - 6

Journal of Materials Chemistry A Vol - 5 Issue - 5

Journal of Materials Chemistry A Vol - 5 Issue - 4

Journal of Materials Chemistry A Vol - 5 Issue - 3

Journal of Materials Chemistry A Vol - 5 Issue - 2

Journal of Materials Chemistry A Vol -4

Journal of Materials Chemistry A Vol -3

Journal of Materials Chemistry A Vol -2

Journal of Materials Chemistry A Vol -1

Influence of phase transitions and defect associates on the oxygen migration in the ion conductor Na_1/2Bi_1/2TiO₃

Content Provider	Royal Society of Chemistry (RSC)
Author	Meyer, Kai-Christian Albe, Karsten
Copyright Year	2017
Abstract	Doped or non-stoichiometric Na1/2Bi1/2TiO3 (NBT) exhibits an ion conductivity comparable to yttria stabilized zirconia (YSZ) [M. Li et al., Nat. Mater., 2014, 13, 31–35], with a temperature dependent activation energy. To understand the origin of this temperature dependence we calculated oxygen vacancy migration barriers for three different phases of NBT by means of nudged elastic band calculations within a density functional theory (DFT) approach. We find that for structures with rock-salt ordered A-cations (111-order), the room temperature rhombohedral phase, the intermediate orthorhombic phase and the high temperature tetragonal phase show different migration barriers, decreasing from the rhombohedral to the tetragonal phase. The change in migration barriers from the rhombohedral to tetragonal phase is, however, not large enough to explain the experimentally observed difference. At lower temperatures, the association of oxygen vacancies with either Mg dopants or Bi vacancies increases the activation energy for the migration of oxygen vacancies. Thus, a combination of phase dependent migration barriers and defect association can explain the temperature dependent change in activation energy. Further, when a layered A-cation order (001-order) is present, the oxygen vacancies prefer to be located within the Bi-layer and a fast diffusion along the Bi-layer can occur. Large migration barriers are due to electronic defect states of the migrating oxygen ion.
Starting Page	4368
Ending Page	4375
Page Count	8
File Format	HTM / HTML PDF
ISSN	20507488
Volume Number	5
Issue Number	9
Journal	Journal of Materials Chemistry A
DOI	10.1039/c6ta10566a
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	NBT Li Nat Non-stoichiometric compound Nitro blue tetrazolium chloride Ion Yttrium(III) oxide Zirconium dioxide Activation energy Oxygen Density functional theory Hexagonal crystal family Orthorhombic crystal system Tetragonal crystal system Diffusion
Content Type	Text
Resource Type	Article
Subject	Chemistry Renewable Energy, Sustainability and the Environment Materials Science

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in

Influence of phase transitions and defect associates on the oxygen migration in the ion conductor Na1/2Bi1/2TiO3

Structure and dielectric properties of Na1/2Bi1/2TiO3-BaTiO3 solid solutions

Role of matrix phase and electric field gradient in Na1/2Bi1/2TiO3BaTiO3:ZnO composites

Peculiar Bi-ion dynamics in Na1/2Bi1/2TiO3 from terahertz and microwave dielectric spectroscopy

Luminescence properties of K1/2Bi1/2TiO3:Pr3+ and Na1/2Bi1/2TiO3:Pr3+.

Properties of Na1/2Bi1/2TiO3 Ceramic Prepared by Sol-Gel Method

Bi₂W_1–xCu_xO_6–x(0.7x0.8): a new oxide-ion conductor

Ferroelectric-ferroelectric Phase Coexistence In Na1 2Bi1 2TiO3

Study of the morphotropic phase boundary in the lead-free Na1/2Bi1/2TiO3-BaTiO3 system by Raman spectroscopy

Influence of phase transitions and defect associates on the oxygen migration in the ion conductor Na_1/2Bi_1/2TiO₃

Similar Documents

Influence of phase transitions and defect associates on the oxygen migration in the ion conductor Na1/2Bi1/2TiO3

Structure and dielectric properties of Na1/2Bi1/2TiO3-BaTiO3 solid solutions

Role of matrix phase and electric field gradient in Na1/2Bi1/2TiO3BaTiO3:ZnO composites

Peculiar Bi-ion dynamics in Na1/2Bi1/2TiO3 from terahertz and microwave dielectric spectroscopy

Luminescence properties of K1/2Bi1/2TiO3:Pr3+ and Na1/2Bi1/2TiO3:Pr3+.

Properties of Na1/2Bi1/2TiO3 Ceramic Prepared by Sol-Gel Method

Bi2W1–xCuxO6–x(0.7x0.8): a new oxide-ion conductor

Ferroelectric-ferroelectric Phase Coexistence In Na1 2Bi1 2TiO3

Study of the morphotropic phase boundary in the lead-free Na1/2Bi1/2TiO3-BaTiO3 system by Raman spectroscopy

Influence of phase transitions and defect associates on the oxygen migration in the ion conductor Na1/2Bi1/2TiO3

Bi₂W_1–xCu_xO_6–x(0.7x0.8): a new oxide-ion conductor

Influence of phase transitions and defect associates on the oxygen migration in the ion conductor Na_1/2Bi_1/2TiO₃