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Lithium and sodium battery cathode materials: computational insights into voltage, diffusion and nanostructural properties

Chemical Society reviews, 2014-01, Vol.43 (1), p.185-24

2014

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Oxide-ion and proton conducting electrolyte materials for clean energy applications: structural and mechanistic features

Chemical Society reviews, 2010-01, Vol.39 (11), p.437-4387

2010

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Why is sodium-intercalated graphite unstable?

RSC advances, 2017-01, Vol.7 (58), p.3655-36554

2017

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Dynamic Visualization of the Electric Potential in an All-Solid-State Rechargeable Lithium Battery

Angewandte Chemie (International ed.), 2010-06, Vol.49 (26), p.4414-4417

2010

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Quantitative prediction of grain boundary thermal conductivities from local atomic environments

Nature communications, 2020-04, Vol.11 (1), p.1854-10, Article 1854

2020

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Efficient, low-cost solar thermoelectric cogenerators comprising evacuated tubular solar collectors and thermoelectric modules

Applied energy, 2013-09, Vol.109, p.51-59

2013

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Oxygen loss and surface degradation during electrochemical cycling of lithium-ion battery cathode material LiMn2O4

Journal of materials chemistry. A, Materials for energy and sustainability, 2019, Vol.7 (15), p.8845-8854

2019

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Accelerated Materials Design of Lithium Superionic Conductors Based on First-Principles Calculations and Machine Learning Algorithms

Advanced energy materials, 2013-08, Vol.3 (8), p.980-985

2013

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Oxygen Affinity: The Missing Link Enabling Prediction of Proton Conductivities in Doped Barium Zirconates

Chemistry of materials, 2020-09, Vol.32 (17), p.7292-7300

2020

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Characterization of the interface between LiCoO2 and Li7La3Zr2O12 in an all-solid-state rechargeable lithium battery

Journal of power sources, 2011-01, Vol.196 (2), p.764-767

2011

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Atomic-Scale Observations of (010) LiFePO4 Surfaces Before and After Chemical Delithiation

Nano letters, 2016-09, Vol.16 (9), p.5409-5414

2016

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Density functional study of the phase stability and Raman spectra of Yb2O3, Yb2SiO5 and Yb2Si2O7 under pressure

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (24), p.16518-16527

2018

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Oxide-ion diffusion in brownmillerite-type Ca2AlMnO5+δ from first-principles calculations

Physical chemistry chemical physics : PCCP, 2022-01, Vol.24 (3), p.1503-1509

2022

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Atomic-Scale Investigation of Defects, Dopants, and Lithium Transport in the LiFePO4 Olivine-Type Battery Material

Chemistry of materials, 2005-10, Vol.17 (20), p.5085-5092

2005

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Lithium Battery Materials LiMPO4 (M = Mn, Fe, Co, and Ni): Insights into Defect Association, Transport Mechanisms, and Doping Behavior

Chemistry of materials, 2008-09, Vol.20 (18), p.5907-5915

2008

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In situ electron holography of electric potentials inside a solid-state electrolyte: Effect of electric-field leakage

Ultramicroscopy, 2017-07, Vol.178, p.20-26

2017

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Cooperative Oxide-Ion Transport in Pyrochlore Y2Ti2O7: A First-Principles Molecular Dynamics Study

Journal of physical chemistry. C, 2021-09, Vol.125 (37), p.20460-20467

2021

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Characterisation of the temperature-dependent M1 to R phase transition in W-doped VO2 nanorod aggregates by Rietveld refinement and theoretical modelling

Physical chemistry chemical physics : PCCP, 2020-04, Vol.22 (15), p.7984-7994

2020

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Systematic analysis of electron energy-loss near-edge structures in Li-ion battery materials

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (38), p.25052-25061

2018

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Equilibrium hydrogen pressures in the V–H system from first principles

International journal of hydrogen energy, 2019-11, Vol.44 (54), p.28909-28918

2019

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Microscopic mechanism of biphasic interface relaxation in lithium iron phosphate after delithiation

Nature communications, 2018-07, Vol.9 (1), p.2863-10, Article 2863

2018

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Atomic-Level Changes during Electrochemical Cycling of Oriented LiMn2O4 Cathodic Thin Films

ACS applied materials & interfaces, 2022-02, Vol.14 (5), p.6507-6517

2022

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Quantifying Anharmonic Vibrations in Thermoelectric Layered Cobaltites and Their Role in Suppressing Thermal Conductivity

Scientific reports, 2018-07, Vol.8 (1), p.11152-11, Article 11152

2018

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Atomic level changes during capacity fade in highly oriented thin films of cathode material LiCoPO4

Journal of materials chemistry. A, Materials for energy and sustainability, 2017, Vol.5 (19), p.9329-9338

2017

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Lithium Atom and A‑Site Vacancy Distributions in Lanthanum Lithium Titanate

Chemistry of materials, 2013-05, Vol.25 (9), p.1607-1614

2013

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Lithium and sodium battery cathode materials: computational insights into voltage, diffusion and nanostructural properties

Oxide-ion and proton conducting electrolyte materials for clean energy applications: structural and mechanistic features

Why is sodium-intercalated graphite unstable?

Dynamic Visualization of the Electric Potential in an All-Solid-State Rechargeable Lithium Battery

Quantitative prediction of grain boundary thermal conductivities from local atomic environments

Efficient, low-cost solar thermoelectric cogenerators comprising evacuated tubular solar collectors and thermoelectric modules

Oxygen loss and surface degradation during electrochemical cycling of lithium-ion battery cathode material LiMn2O4

Accelerated Materials Design of Lithium Superionic Conductors Based on First-Principles Calculations and Machine Learning Algorithms

Oxygen Affinity: The Missing Link Enabling Prediction of Proton Conductivities in Doped Barium Zirconates

Characterization of the interface between LiCoO2 and Li7La3Zr2O12 in an all-solid-state rechargeable lithium battery

Atomic-Scale Observations of (010) LiFePO4 Surfaces Before and After Chemical Delithiation

Density functional study of the phase stability and Raman spectra of Yb2O3, Yb2SiO5 and Yb2Si2O7 under pressure

Oxide-ion diffusion in brownmillerite-type Ca2AlMnO5+δ from first-principles calculations

Atomic-Scale Investigation of Defects, Dopants, and Lithium Transport in the LiFePO4 Olivine-Type Battery Material

Lithium Battery Materials LiMPO4 (M = Mn, Fe, Co, and Ni): Insights into Defect Association, Transport Mechanisms, and Doping Behavior

In situ electron holography of electric potentials inside a solid-state electrolyte: Effect of electric-field leakage

Cooperative Oxide-Ion Transport in Pyrochlore Y2Ti2O7: A First-Principles Molecular Dynamics Study

Characterisation of the temperature-dependent M1 to R phase transition in W-doped VO2 nanorod aggregates by Rietveld refinement and theoretical modelling

Systematic analysis of electron energy-loss near-edge structures in Li-ion battery materials

Equilibrium hydrogen pressures in the V–H system from first principles

Microscopic mechanism of biphasic interface relaxation in lithium iron phosphate after delithiation

Atomic-Level Changes during Electrochemical Cycling of Oriented LiMn2O4 Cathodic Thin Films

Quantifying Anharmonic Vibrations in Thermoelectric Layered Cobaltites and Their Role in Suppressing Thermal Conductivity

Atomic level changes during capacity fade in highly oriented thin films of cathode material LiCoPO4

Lithium Atom and A‑Site Vacancy Distributions in Lanthanum Lithium Titanate

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