Research graph
References from Interplay of Lattice Distortion and Cation Disorder Governs Li-Ion Transport in Cation-Disordered Rocksalt Cathodes. Local targets link to admitted publications; unresolved targets remain external evidence.
High-Capacity Electrode Materials for Rechargeable Lithium Batteries: Li 3 NbO 4 -Based System with Cation-Disordered Rocksalt Structure
10.1073/pnas.1504901112 · 2015 · External reference
Unlocking the Potential of Cation-Disordered Oxides for Rechargeable Lithium Batteries
10.1126/science.1246432 · 2014 · External reference
The Configurational Space of Rocksalt-Type Oxides for High-Capacity Lithium Battery Electrodes
10.1002/aenm.201400478 · 2014 · External reference
Evolution of Strategies for Modern Rechargeable Batteries
10.1021/ar2002705 · 2013 · External reference
Mechanisms of Enhanced Electrochemical Performance by Chemical Short-Range Disorder in Lithium Oxide Cathodes
10.1021/acsnano.4c17907 · 2025 · External reference
Computational Design and Preparation of Cation-Disordered Oxides for High-Energy-Density Li-Ion Batteries
10.1002/aenm.201600488 · 2016 · External reference
Fluorination of Lithium-Excess Transition Metal Oxide Cathode Materials
10.1002/aenm.201701533 · 2018 · External reference
Design Principles for High Transition Metal Capacity in Disordered Rocksalt Li-Ion Cathodes
10.1039/c8ee00816g · 2018 · External reference
The Structural and Chemical Origin of the Oxygen Redox Activity in Layered and Cation-Disordered Li-Excess Cathode Materials
10.1038/nchem.2524 · 2016 · External reference
Modeling Ionic Transport and Disorder in Crystalline Electrodes Using Percolation Theory
2023 · External reference
A New Class of High Capacity Cation-Disordered Oxides for Rechargeable Lithium Batteries: Li-Ni-Ti-Mo Oxides
10.1039/c5ee02329g · 2015 · External reference
Hidden Structural and Chemical Order Controls Lithium Transport in Cation-Disordered Oxides for Rechargeable Batteries
10.1038/s41467-019-08490-w · 2019 · External reference
Design Principles for Sodium Superionic Conductors
10.1038/s41467-023-43436-3 · 2023 · External reference
Frustration in Super-Ionic Conductors Unraveled by the Density of Atomistic States
10.1002/anie.202215544 · 2023 · External reference
Expandable Li Percolation Network: The Effects of Site Distortion in Cation-Disordered Rock-Salt Cathode Material
10.1021/jacs.3c02041 · 2023 · External reference
Microtubular Solid Oxide Fuel Cells with a Two-Layer LSCF/BSCFM5 Cathode
10.1016/j.greenca.2023.11.002 · 2023 · External reference
Optimization of Two-Dimensional Solid-State Electrolyte-Anode Interface by Integrating Zinc into Composite Anode with Dual-Conductive Phases
10.1016/j.greenca.2024.02.005 · 2024 · External reference
Special Quasirandom Structures
10.1103/physrevlett.65.353 · 1990 · External reference
High-Entropy Mg1.8R0.2Al4Si5O18 (R = Ni, Co, Zn, Cu, Mn) Cordierite Ceramics: Influence of Octahedral Distortion and Electronegativity Mismatch on the Microwave Dielectric Properties
10.1016/j.ceramint.2024.02.215 · 2024 · External reference
Chemical Randomness, Lattice Distortion and the Wide Distributions in the Atomic Level Properties in High Entropy Alloys
10.1016/j.commatsci.2024.112912 · 2024 · External reference
Lithium Superionic Conductors with Corner-Sharing Frameworks
10.1038/s41563-022-01222-4 · 2022 · External reference
CHGNet as a Pretrained Universal Neural Network Potential for Charge-Informed Atomistic Modelling
10.1038/s42256-023-00716-3 · 2023 · External reference
High-Entropy Mechanism to Boost Ionic Conductivity
10.1126/science.abq1346 · 2022 · External reference
Screening Na-Excess Cation-Disordered Rocksalt Cathodes with High Performance
10.1021/acsnano.4c09285 · 2024 · External reference
Cation-Disordered Rocksalt-Type High-Entropy Cathodes for Li-Ion Batteries
10.1038/s41563-020-00816-0 · 2021 · External reference
Understanding the Limits to Short-Range Order Suppression in Many-Component Disordered Rock Salt Lithium-Ion Cathode Materials
10.1039/d3ta02088f · 2023 · External reference
Cation-Disordered Rocksalt Transition Metal Oxides and Oxyfluorides for High Energy Lithium-Ion Cathodes
10.1039/c9ee02803j · 2020 · External reference
Simultaneously Enhancing the Ultimate Strength and Ductility of High-Entropy Alloys via Short-Range Ordering
10.1038/s41467-021-25264-5 · 2021 · External reference
Origin of Enhanced Disorder in High Entropy Rocksalt Type Li-Ion Battery Cathodes
10.1039/d5eb00104h · 2025 · External reference
Local Lattice Distortion Regulation in High Entropy Engineering to Enhance the Triple Conductivity of Layered Ruddlesden-Popper Perovskite Cathode in H+-SOFCs
10.1016/j.cej.2025.159463 · 2025 · External reference
Origin of Structural Degradation in Li-Rich Layered Oxide Cathode
10.1038/s41586-022-04689-y · 2022 · External reference
Lattice Distortion Induced Rock Salt High-Entropy Oxide for High-Rate Lithium-Ion Storage
10.1016/j.jallcom.2024.174480 · 2024 · External reference
Multifunctional High Entropy Alloys Enabled by Severe Lattice Distortion
10.1002/adma.202305453 · 2024 · External reference
Comparative Studies on Full Dehydrogenation of Dodecahydro- N -Ethylcarbazole on Pd(111) and Ni(111) Surfaces: Mechanism and Catalytic Enhancement
10.1021/acsami.4c05746 · 2024 · External reference
Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set
10.1103/physrevb.54.11169 · 1996 · External reference
From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method
10.1103/physrevb.59.1758 · 1999 · External reference
A Consistent and Accurate Ab Initio Parametrization of Density Functional Dispersion Correction (DFT-D) for the 94 Elements H-Pu
10.1063/1.3382344 · 2010 · External reference
Projector Augmented-Wave Method
10.1103/physrevb.50.17953 · 1994 · External reference
Accurate and Simple Analytic Representation of the Electron-Gas Correlation Energy
10.1103/physrevb.45.13244 · 1992 · External reference
Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set
10.1016/0927-0256(96)00008-0 · 1996 · External reference
Oxidation Energies of Transition Metal Oxides within the GGA + U Framework
10.1103/physrevb.73.195107 · 2006 · External reference
A Climbing Image Nudged Elastic Band Method for Finding Saddle Points and Minimum Energy Paths
10.1063/1.1329672 · 2000 · External reference
Promoting Catalytic Performance of Metal Hydrides for Reversible Hydrogen Storage in N-Ethylcarbazole by Electronic Structure and Hydrogen Chemical Potential Tuning
10.1021/acscatal.4c02947 · 2024 · External reference
Effect of Fluorination on Lithium Transport and Short-Range Order in Disordered-Rocksalt-Type Lithium-Ion Battery Cathodes
10.1002/aenm.201903240 · 2020 · External reference
Intercalation Chemistry of the Disordered Rocksalt Li 3 V 2 O 5 Anode from Cluster Expansions and Machine Learning Interatomic Potentials
10.1021/acs.chemmater.2c02839 · 2023 · External reference
Python Materials Genomics (Pymatgen): A Robust, Open-Source Python Library for Materials Analysis
10.1016/j.commatsci.2012.10.028 · 2013 · External reference
LAMMPS - a Flexible Simulation Tool for Particle-Based Materials Modeling at the Atomic, Meso, and Continuum Scales
10.1016/j.cpc.2021.108171 · 2022 · External reference
Multifunctional High Entropy Alloys Enabled by Severe Lattice Distortion
10.1002/adma.202305453 · ExternalCitation · doi-reference
The Configurational Space of Rocksalt-Type Oxides for High-Capacity Lithium Battery Electrodes
10.1002/aenm.201400478 · ExternalCitation · doi-reference
Computational Design and Preparation of Cation-Disordered Oxides for High-Energy-Density Li-Ion Batteries
10.1002/aenm.201600488 · ExternalCitation · doi-reference
Fluorination of Lithium-Excess Transition Metal Oxide Cathode Materials
10.1002/aenm.201701533 · ExternalCitation · doi-reference
Effect of Fluorination on Lithium Transport and Short-Range Order in Disordered-Rocksalt-Type Lithium-Ion Battery Cathodes
10.1002/aenm.201903240 · ExternalCitation · doi-reference
Frustration in Super-Ionic Conductors Unraveled by the Density of Atomistic States
10.1002/anie.202215544 · ExternalCitation · doi-reference
Efficiency of Ab-Initio Total Energy Calculations for Metals and Semiconductors Using a Plane-Wave Basis Set
10.1016/0927-0256(96)00008-0 · ExternalCitation · doi-reference
Local Lattice Distortion Regulation in High Entropy Engineering to Enhance the Triple Conductivity of Layered Ruddlesden-Popper Perovskite Cathode in H+-SOFCs
10.1016/j.cej.2025.159463 · ExternalCitation · doi-reference
High-Entropy Mg1.8R0.2Al4Si5O18 (R = Ni, Co, Zn, Cu, Mn) Cordierite Ceramics: Influence of Octahedral Distortion and Electronegativity Mismatch on the Microwave Dielectric Properties
10.1016/j.ceramint.2024.02.215 · ExternalCitation · doi-reference
Python Materials Genomics (Pymatgen): A Robust, Open-Source Python Library for Materials Analysis
10.1016/j.commatsci.2012.10.028 · ExternalCitation · doi-reference
Chemical Randomness, Lattice Distortion and the Wide Distributions in the Atomic Level Properties in High Entropy Alloys
10.1016/j.commatsci.2024.112912 · ExternalCitation · doi-reference
LAMMPS - a Flexible Simulation Tool for Particle-Based Materials Modeling at the Atomic, Meso, and Continuum Scales
10.1016/j.cpc.2021.108171 · ExternalCitation · doi-reference
Microtubular Solid Oxide Fuel Cells with a Two-Layer LSCF/BSCFM5 Cathode
10.1016/j.greenca.2023.11.002 · ExternalCitation · doi-reference
Optimization of Two-Dimensional Solid-State Electrolyte-Anode Interface by Integrating Zinc into Composite Anode with Dual-Conductive Phases
10.1016/j.greenca.2024.02.005 · ExternalCitation · doi-reference
Lattice Distortion Induced Rock Salt High-Entropy Oxide for High-Rate Lithium-Ion Storage
10.1016/j.jallcom.2024.174480 · ExternalCitation · doi-reference
Intercalation Chemistry of the Disordered Rocksalt Li 3 V 2 O 5 Anode from Cluster Expansions and Machine Learning Interatomic Potentials
10.1021/acs.chemmater.2c02839 · ExternalCitation · doi-reference
Comparative Studies on Full Dehydrogenation of Dodecahydro- N -Ethylcarbazole on Pd(111) and Ni(111) Surfaces: Mechanism and Catalytic Enhancement
10.1021/acsami.4c05746 · ExternalCitation · doi-reference
Promoting Catalytic Performance of Metal Hydrides for Reversible Hydrogen Storage in N-Ethylcarbazole by Electronic Structure and Hydrogen Chemical Potential Tuning
10.1021/acscatal.4c02947 · ExternalCitation · doi-reference
Screening Na-Excess Cation-Disordered Rocksalt Cathodes with High Performance
10.1021/acsnano.4c09285 · ExternalCitation · doi-reference
Mechanisms of Enhanced Electrochemical Performance by Chemical Short-Range Disorder in Lithium Oxide Cathodes
10.1021/acsnano.4c17907 · ExternalCitation · doi-reference
Evolution of Strategies for Modern Rechargeable Batteries
10.1021/ar2002705 · ExternalCitation · doi-reference
Expandable Li Percolation Network: The Effects of Site Distortion in Cation-Disordered Rock-Salt Cathode Material
10.1021/jacs.3c02041 · ExternalCitation · doi-reference
The Structural and Chemical Origin of the Oxygen Redox Activity in Layered and Cation-Disordered Li-Excess Cathode Materials
10.1038/nchem.2524 · ExternalCitation · doi-reference
Hidden Structural and Chemical Order Controls Lithium Transport in Cation-Disordered Oxides for Rechargeable Batteries
10.1038/s41467-019-08490-w · ExternalCitation · doi-reference
Simultaneously Enhancing the Ultimate Strength and Ductility of High-Entropy Alloys via Short-Range Ordering
10.1038/s41467-021-25264-5 · ExternalCitation · doi-reference
Design Principles for Sodium Superionic Conductors
10.1038/s41467-023-43436-3 · ExternalCitation · doi-reference
Cation-Disordered Rocksalt-Type High-Entropy Cathodes for Li-Ion Batteries
10.1038/s41563-020-00816-0 · ExternalCitation · doi-reference
Lithium Superionic Conductors with Corner-Sharing Frameworks
10.1038/s41563-022-01222-4 · ExternalCitation · doi-reference
Origin of Structural Degradation in Li-Rich Layered Oxide Cathode
10.1038/s41586-022-04689-y · ExternalCitation · doi-reference
CHGNet as a Pretrained Universal Neural Network Potential for Charge-Informed Atomistic Modelling
10.1038/s42256-023-00716-3 · ExternalCitation · doi-reference
A New Class of High Capacity Cation-Disordered Oxides for Rechargeable Lithium Batteries: Li-Ni-Ti-Mo Oxides
10.1039/c5ee02329g · ExternalCitation · doi-reference
Design Principles for High Transition Metal Capacity in Disordered Rocksalt Li-Ion Cathodes
10.1039/c8ee00816g · ExternalCitation · doi-reference
Cation-Disordered Rocksalt Transition Metal Oxides and Oxyfluorides for High Energy Lithium-Ion Cathodes
10.1039/c9ee02803j · ExternalCitation · doi-reference
Understanding the Limits to Short-Range Order Suppression in Many-Component Disordered Rock Salt Lithium-Ion Cathode Materials
10.1039/d3ta02088f · ExternalCitation · doi-reference
Origin of Enhanced Disorder in High Entropy Rocksalt Type Li-Ion Battery Cathodes
10.1039/d5eb00104h · ExternalCitation · doi-reference
A Climbing Image Nudged Elastic Band Method for Finding Saddle Points and Minimum Energy Paths
10.1063/1.1329672 · ExternalCitation · doi-reference
A Consistent and Accurate Ab Initio Parametrization of Density Functional Dispersion Correction (DFT-D) for the 94 Elements H-Pu
10.1063/1.3382344 · ExternalCitation · doi-reference
High-Capacity Electrode Materials for Rechargeable Lithium Batteries: Li 3 NbO 4 -Based System with Cation-Disordered Rocksalt Structure
10.1073/pnas.1504901112 · ExternalCitation · doi-reference
Accurate and Simple Analytic Representation of the Electron-Gas Correlation Energy
10.1103/physrevb.45.13244 · ExternalCitation · doi-reference
Projector Augmented-Wave Method
10.1103/physrevb.50.17953 · ExternalCitation · doi-reference
Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set
10.1103/physrevb.54.11169 · ExternalCitation · doi-reference
From Ultrasoft Pseudopotentials to the Projector Augmented-Wave Method
10.1103/physrevb.59.1758 · ExternalCitation · doi-reference
Oxidation Energies of Transition Metal Oxides within the GGA + U Framework
10.1103/physrevb.73.195107 · ExternalCitation · doi-reference
Special Quasirandom Structures
10.1103/physrevlett.65.353 · ExternalCitation · doi-reference
Unlocking the Potential of Cation-Disordered Oxides for Rechargeable Lithium Batteries
10.1126/science.1246432 · ExternalCitation · doi-reference
High-Entropy Mechanism to Boost Ionic Conductivity
10.1126/science.abq1346 · ExternalCitation · doi-reference
