First-principles effective Hamiltonian simulation of ABO3-type perovskite ferroelectrics for energy storage application

Dielectric Enhancement in Graphene/Barium Titanate Nanocomposites

(2016) Bingcheng Luo et al.   ACS Applied Materials & Interfaces

First-principles study of the negative thermal expansion of PbTiO 3

(2016) Yue-Chao Jiao et al.   COMPUTATIONAL MATERIALS SCIENCE

Energy-storage properties and high-temperature dielectric relaxation behaviors of relaxor ferroelectric Pb(Mg1/3Nb2/3)O3–PbTiO3ceramics

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Effects of correlated parameters and uncertainty in electronic-structure-based chemical kinetic modelling

(2016) Jonathan E. Sutton et al.   Nature Chemistry

Chiral atomically thin films

(2016) Cheol-Joo Kim et al.   Nature Nanotechnology

Structural and electronic properties of cubic KNbO3 (001) surfaces: A first-principles study

(2015) Bingcheng Luo et al.   APPLIED SURFACE SCIENCE

Ab initio hybrid DFT calculations of BaTiO3, PbTiO3, SrZrO3 and PbZrO3 (111) surfaces

(2015) Roberts I. Eglitis   APPLIED SURFACE SCIENCE

First-principles study of nitrogen doping and oxygen vacancy in cubic PbTiO 3

(2015) P.J. Niu et al.   COMPUTATIONAL MATERIALS SCIENCE

Electric-Field-Induced Reversible Phase Transitions in Two-Dimensional Colloidal Crystals

(2015) Kelsey A. Collins et al.   LANGMUIR

Electrocaloric response of KNbO3 from a first-principles effective Hamiltonian

(2015) J.A. Barr et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

An ultrafast rechargeable aluminium-ion battery

(2015) Meng-Chang Lin et al.   NATURE

Discovery of a Weyl fermion state with Fermi arcs in niobium arsenide

(2015) Su-Yang Xu et al.   Nature Physics

Dynamics of field-induced polarization reversal in thin strained perovskite ferroelectric films withc-oriented polarization

(2015) Laurent Baudry et al.   PHYSICAL REVIEW B

Anti-Ferroelectric Ceramics for High Energy Density Capacitors

(2015) Aditya Chauhan et al.   Materials

Electronic structure, optical and dielectric properties of BaTiO3/CaTiO3/SrTiO3 ferroelectric superlattices from first-principles calculations

(2015) Bingcheng Luo et al.   Journal of Materials Chemistry C

Electrocaloric response of KNbO3 from a first-principles effective Hamiltonian

(2015) J.A. Barr et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

Surface structure and polarization of cubic and tetragonal BaTiO3: An ab initio study

(2014) N. Iles et al.   COMPUTATIONAL MATERIALS SCIENCE

Valley-dependent spin polarization in bulk MoS2 with broken inversion symmetry

(2014) R. Suzuki et al.   Nature Nanotechnology

Where Do Batteries End and Supercapacitors Begin?

(2014) P. Simon et al.   SCIENCE

Polarization rotation theory for field-induced-phase transitions in BaTiO3 single crystal

(2013) Hui Zhang   JOURNAL OF APPLIED PHYSICS

Direct Molecular Dynamics Simulation of Electrocaloric Effect in BaTiO3

(2013) Takeshi Nishimatsu et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Effects of ZnNb 2 O 6 addition on BaTiO 3 ceramics for energy storage

(2013) Tong Wang et al.   Materials Science and Engineering B-Advanced Functional Solid-State Materials

BaTiO3: Energy, geometrical and electronic structure, relationship between optical constant and density from first-principles calculations

(2013) Qi-Jun Liu et al.   OPTICAL MATERIALS

Fabrication, characterization, properties and theoretical analysis of ceramic/PVDF composite flexible films with high dielectric constant and low dielectric loss

(2013) Bingcheng Luo et al.   Journal of Materials Chemistry A

First-principles calculations on the four phases of BaTiO3

(2012) Robert A. Evarestov et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Nanocomposites of ferroelectric polymers with surface-hydroxylated BaTiO3 nanoparticles for energy storage applications

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Molecular Dynamics Simulation of 90° Ferroelectric Domains in PbTiO3

(2012) Takeshi Nishimatsu et al.   JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN

Effective Hamiltonian methods for predicting the electrocaloric behavior of BaTiO3

(2012) S.P. Beckman et al.   MATERIALS LETTERS

Thermal and electrical conductivity of iron at Earth’s core conditions

(2012) Monica Pozzo et al.   NATURE

Opportunities and challenges for a sustainable energy future

(2012) Steven Chu et al.   NATURE

A Reversible and Higher-Rate Li-O2 Battery

(2012) Z. Peng et al.   SCIENCE

High density nanostructured BaTiO3 ceramics obtained under extreme conditions

(2012) M.F.S. Alves et al.   SCRIPTA MATERIALIA

Synthesis of High Aspect Ratio BaTiO3Nanowires for High Energy Density Nanocomposite Capacitors

(2012) Haixiong Tang et al.   Advanced Energy Materials

Multiscale modeling for ferroelectric materials: a transition from the atomic level to phase-field modeling

(2011) B. Völker et al.   CONTINUUM MECHANICS AND THERMODYNAMICS

Role of renewable energy sources in environmental protection: A review

(2011) N.L. Panwar et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

Optimization methods applied to renewable and sustainable energy: A review

(2011) R. Baños et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

A Major Constituent of Brown Algae for Use in High-Capacity Li-Ion Batteries

(2011) I. Kovalenko et al.   SCIENCE

Carbon-Based Supercapacitors Produced by Activation of Graphene

(2011) Y. Zhu et al.   SCIENCE

Electrical Energy Storage for the Grid: A Battery of Choices

(2011) B. Dunn et al.   SCIENCE

Piezoelectric anisotropy of a KNbO3 single crystal

(2010) Linyun Liang et al.   JOURNAL OF APPLIED PHYSICS

First-principles accurate total energy surfaces for polar structural distortions ofBaTiO3,PbTiO3, andSrTiO3: Consequences for structural transition temperatures

(2010) Takeshi Nishimatsu et al.   PHYSICAL REVIEW B

High Energy Density Nanocomposites Based on Surface-Modified BaTiO3 and a Ferroelectric Polymer

(2009) Philseok Kim et al.   ACS Nano

Electrical breakdown and ultrahigh electrical energy density in poly(vinylidene fluoride-hexafluoropropylene) copolymer

(2009) Xin Zhou et al.   APPLIED PHYSICS LETTERS

Battery materials for ultrafast charging and discharging

(2009) Byoungwoo Kang et al.   NATURE

Polarization rotation, switching, and electric-field–temperature phase diagrams of ferroelectricBaTiO3: A molecular dynamics study

(2009) Jaita Paul et al.   PHYSICAL REVIEW B

Phase transition and ferroelectric properties of epitaxially strained KNbO3/NaNbO3 superlattice

(2008) Zhanfang Li et al.   JOURNAL OF APPLIED PHYSICS

Phase-Field Method of Phase Transitions/Domain Structures in Ferroelectric Thin Films: A Review

(2008) Long-Qing Chen   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Materials for electrochemical capacitors

(2008) Patrice Simon et al.   NATURE MATERIALS

Fast molecular-dynamics simulation for ferroelectric thin-film capacitors using a first-principles effective Hamiltonian

(2008) Takeshi Nishimatsu et al.   PHYSICAL REVIEW B