Crystal structure, defect chemistry and oxygen ion transport of the ferroelectric perovskite, Na0.5Bi0.5TiO3: insights from first-principles calculations

First-Principles Calculations of Oxygen Vacancy Formation and Metallic Behavior at a β-MnO2 Grain Boundary

(2015) James A. Dawson et al.   ACS Applied Materials & Interfaces

Dramatic Influence of A-Site Nonstoichiometry on the Electrical Conductivity and Conduction Mechanisms in the Perovskite Oxide Na0.5Bi0.5TiO3

(2015) Ming Li et al.   CHEMISTRY OF MATERIALS

Oxygen Vacancy Formation and Reduction Properties of β-MnO2 Grain Boundaries and the Potential for High Electrochemical Performance

(2014) James A. Dawson et al.   ACS Applied Materials & Interfaces

Structure and ferroelectricity of nonstoichiometric (Na0.5Bi0.5)TiO3

(2014) Jared Carter et al.   APPLIED PHYSICS LETTERS

Combined Ab Initio and Interatomic Potentials Based Assessment of the Defect Structure of Mn-Doped SrTiO3

(2014) J. A. Dawson et al.   Journal of Physical Chemistry C

A family of oxide ion conductors based on the ferroelectric perovskite Na0.5Bi0.5TiO3

(2013) Ming Li et al.   NATURE MATERIALS

Local atomic structure deviation from average structure of Na0.5Bi0.5TiO3: Combined x-ray and neutron total scattering study

(2013) Elena Aksel et al.   PHYSICAL REVIEW B

Nano- and Mesoscale Structure of Na$_{1 \over 2}$Bi$_{1 \over 2}$TiO3: A TEM Perspective

(2012) Igor Levin et al.   ADVANCED FUNCTIONAL MATERIALS

Bifurcated Polarization Rotation in Bismuth-Based Piezoelectrics

(2012) Dean S. Keeble et al.   ADVANCED FUNCTIONAL MATERIALS

Lone-Pair-Induced Covalency as the Cause of Temperature- and Field-Induced Instabilities in Bismuth Sodium Titanate

(2012) Denis Schütz et al.   ADVANCED FUNCTIONAL MATERIALS

Nanoscale Insight Into Lead-Free BNT-BT-xKNN

(2012) Robert Dittmer et al.   ADVANCED FUNCTIONAL MATERIALS

First-principles study of intrinsic point defects in hexagonal barium titanate

(2012) J. A. Dawson et al.   JOURNAL OF APPLIED PHYSICS

Electromechanical strain in Bi(Zn1/2Ti1/2)O3–(Bi1/2Na1/2)TiO3–(Bi1/2K1/2)TiO3 solid solutions

(2012) Eric A. Patterson et al.   JOURNAL OF APPLIED PHYSICS

Formation and migration of oxygen vacancies in La1−xSrxCo1−yFeyO3−δperovskites: insight from ab initio calculations and comparison with Ba1−xSrxCo1−yFeyO3−δ

(2012) Yuri A. Mastrikov et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Pressure-induced phase transitions and structure of chemically ordered nanoregions in the lead-free relaxor ferroelectric Na1/2Bi1/2TiO3

(2012) Melanie Gröting et al.   PHYSICAL REVIEW B

Monoclinic crystal structure of polycrystalline Na0.5Bi0.5TiO3

(2011) Elena Aksel et al.   APPLIED PHYSICS LETTERS

Effects of Bi nonstoichiometry in (Bi0.5+xNa)TiO3 ceramics

(2011) Y. S. Sung et al.   APPLIED PHYSICS LETTERS

Oxygen diffusion in solid oxide fuel cell cathode and electrolyte materials: mechanistic insights from atomistic simulations

(2011) Alexander Chroneos et al.   Energy & Environmental Science

Chemical order and local structure of the lead-free relaxor ferroelectric

(2011) Melanie Gröting et al.   JOURNAL OF SOLID STATE CHEMISTRY

Ab initio calculation for vacancy-induced magnetism in ferroelectric Na0.5Bi0.5TiO3

(2011) Yongjia Zhang et al.   Computational and Theoretical Chemistry

Large Electric Field-Induced Strain and Antiferroelectric Behavior in (1-x)(Na0.5Bi0.5)TiO3-xBaTiO3Ceramics

(2010) Yiping Guo et al.   CHEMISTRY OF MATERIALS

First-principles study on the electronic and optical properties of Na0.5Bi0.5TiO3 lead-free piezoelectric crystal

(2010) Min Zeng et al.   JOURNAL OF APPLIED PHYSICS

Cation ordering in perovskites

(2010) Graham King et al.   JOURNAL OF MATERIALS CHEMISTRY

GGA+Udescription of lithium intercalation into anataseTiO2

(2010) Benjamin J. Morgan et al.   PHYSICAL REVIEW B

Thermal depoling process and piezoelectric properties of bismuth sodium titanate ceramics

(2009) Yuji Hiruma et al.   JOURNAL OF APPLIED PHYSICS

Perspective on the Development of Lead-free Piezoceramics

(2009) Jürgen Rödel et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

An atomistic simulation study of oxygen-vacancy migration in perovskite electrolytes based on LaGaO3

(2009) Roger A. De Souza et al.   MONATSHEFTE FUR CHEMIE

Reinvestigation of Phase Transitions in Na0.5Bi0.5TiO3by TEM. Part I: First Order Rhombohedral to Orthorhombic Phase Transition

(2008) V. Dorcet et al.   CHEMISTRY OF MATERIALS