Anharmonic lattice dynamics of superionic lithium nitride

Mechanistic Origin of Superionic Lithium Diffusion in Anion-Disordered Li6PS5X Argyrodites

(2021) Benjamin J. Morgan   CHEMISTRY OF MATERIALS

Observation of specific optical phonon modes dominating Li ion diffusion in γ-LiAlO2 ceramic

(2021) Qiwei Hu et al.   CERAMICS INTERNATIONAL

Spectral Denoising for Accelerated Analysis of Correlated Ionic Transport

(2021) Nicola Molinari et al.   PHYSICAL REVIEW LETTERS

Atomistic Mechanisms Underlying Non-Arrhenius Ion Transport in Superionic Conductor AgCrSe2

(2021) Jiuling Wang et al.   ACS Applied Energy Materials

Understanding fast-ion conduction in solid electrolytes

(2021) Benjamin J. Morgan   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Anharmonic lattice dynamics and superionic transition in AgCrSe2

(2020) Jingxuan Ding et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Machine learning enabled autonomous microstructural characterization in 3D samples

(2020) Henry Chan et al.   npj Computational Materials

High-throughput screening platform for solid electrolytes combining hierarchical ion-transport prediction algorithms

(2020) Bing He et al.   Scientific Data

Low dimensional nanostructures of fast ion conducting lithium nitride

(2020) Nuria Tapia-Ruiz et al.   Nature Communications

Phonon–Ion Interactions: Designing Ion Mobility Based on Lattice Dynamics

(2020) Sokseiha Muy et al.   Advanced Energy Materials

Influence of lattice dynamics on lithium-ion conductivity: A first-principles study

(2019) Arun K. Sagotra et al.   PHYSICAL REVIEW MATERIALS

Superionic UO2: A model anharmonic crystalline material

(2019) Hao Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Fundamentals of inorganic solid-state electrolytes for batteries

(2019) Theodosios Famprikis et al.   NATURE MATERIALS

Descriptors for Electron and Hole Charge Carriers in Metal Oxides

(2019) Daniel W. Davies et al.   Journal of Physical Chemistry Letters

Tuning mobility and stability of lithium ion conductors based on lattice dynamics

(2018) Sokseiha Muy et al.   Energy & Environmental Science

Selective breakdown of phonon quasiparticles across superionic transition in CuCrSe2

(2018) Jennifer L. Niedziela et al.   Nature Physics

Comparing the Descriptors for Investigating the Influence of Lattice Dynamics on Ionic Transport Using the Superionic Conductor Na3PS4–xSex

(2018) Thorben Krauskopf et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Influence of Lattice Polarizability on the Ionic Conductivity in the Lithium Superionic Argyrodites Li6PS5X (X = Cl, Br, I)

(2017) Marvin A. Kraft et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

In situ click chemistry generation of cyclooxygenase-2 inhibitors

(2017) Atul Bhardwaj et al.   Nature Communications

Dimer-mediated cation diffusion in the stoichiometric ionic conductor Li3N

(2016) Alexander D. Mulliner et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Sparse Cyclic Excitations Explain the Low Ionic Conductivity of StoichiometricLi7La3Zr2O12

(2016) Mario Burbano et al.   PHYSICAL REVIEW LETTERS

Anharmonicity in the High-TemperatureCmcmPhase of SnSe: Soft Modes and Three-Phonon Interactions

(2016) Jonathan M. Skelton et al.   PHYSICAL REVIEW LETTERS

Computational Screening of All Stoichiometric Inorganic Materials

(2016) Daniel W. Davies et al.   Chem

Role of Na+ Interstitials and Dopants in Enhancing the Na+ Conductivity of the Cubic Na3PS4 Superionic Conductor

(2015) Zhuoying Zhu et al.   CHEMISTRY OF MATERIALS

Review—Solid Electrolytes in Rechargeable Electrochemical Cells

(2015) John B. Goodenough et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Genetics of superionic conductivity in lithium lanthanum titanates

(2015) E. E. Jay et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

The high-throughput highway to computational materials design

(2013) Stefano Curtarolo et al.   NATURE MATERIALS

Dynamical response and instability in ceria under lattice expansion

(2013) J. Buckeridge et al.   PHYSICAL REVIEW B

One-dimensional stringlike cooperative migration of lithium ions in an ultrafast ionic conductor

(2012) M. Xu et al.   APPLIED PHYSICS LETTERS

Li+ ion conductivity and diffusion mechanism in α-Li3N and β-Li3N

(2010) Wen Li et al.   Energy & Environmental Science

Lithium nitrides as sustainable energy materials

(2008) Duncan H. Gregory   CHEMICAL RECORD

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS