Al‐Doping Driven Suppression of Capacity and Voltage Fadings in 4d‐Element Containing Li‐Ion‐Battery Cathode Materials: Machine Learning and Density Functional Theory

Ruthenium Core–Shell Engineering with Nickel Single Atoms for Selective Oxygen Evolution via Nondestructive Mechanism

(2021) Ahmad M. Harzandi et al.   Advanced Energy Materials

Na/Al Codoped Layered Cathode with Defects as Bifunctional Electrocatalyst for High‐Performance Li‐Ion Battery and Oxygen Evolution Reaction

(2021) Aditya Narayan Singh et al.   Small

Determining the Criticality of Li‐Excess for Disordered‐Rocksalt Li‐Ion Battery Cathodes

(2021) Jinhyuk Lee et al.   Advanced Energy Materials

Universal Machine Learning Interatomic Potentials: Surveying Solid Electrolytes

(2021) Amir Hajibabaei et al.   Journal of Physical Chemistry Letters

Machine Learning of First-Principles Force-Fields for Alkane and Polyene Hydrocarbons

(2021) Amir Hajibabaei et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A reflection on lithium-ion battery cathode chemistry

(2020) Arumugam Manthiram   Nature Communications

Immiscible bi-metal single-atoms driven synthesis of electrocatalysts having superb mass-activity and durability

(2020) Ahmad M. Harzandi et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Bond-length distributions for ions bonded to oxygen: results for the transition metals and quantification of the factors underlying bond-length variation in inorganic solids

(2020) Olivier Charles Gagné et al.   IUCrJ

Efficient electron extraction of SnO2 electron transport layer for lead halide perovskite solar cell

(2020) Junu Kim et al.   npj Computational Materials

A disordered rock salt anode for fast-charging lithium-ion batteries

(2020) Haodong Liu et al.   NATURE

Dislocation and oxygen-release driven delithiation in Li2MnO3

(2020) Kei Nakayama et al.   Nature Communications

Inhibition of oxygen dimerization by local symmetry tuning in Li-rich layered oxides for improved stability

(2020) Fanghua Ning et al.   Nature Communications

Enabling Facile Anionic Kinetics through Cationic Redox Mediator in Li-Rich Layered Cathodes

(2020) Ning Li et al.   ACS Energy Letters

Hidden structural and chemical order controls lithium transport in cation-disordered oxides for rechargeable batteries

(2019) Huiwen Ji et al.   Nature Communications

Metal–oxygen decoordination stabilizes anion redox in Li-rich oxides

(2019) Jihyun Hong et al.   NATURE MATERIALS

Characterizing the Structure and Phase Transition of Li2RuO3 using Variable Temperature 17O and 7Li NMR Spectroscopy

(2019) Philip J. Reeves et al.   CHEMISTRY OF MATERIALS

Oxygen Release Degradation in Li‐Ion Battery Cathode Materials: Mechanisms and Mitigating Approaches

(2019) Soroosh Sharifi‐Asl et al.   Advanced Energy Materials

High‐Performance Hydrogen Evolution by Ru Single Atoms and Nitrided‐Ru Nanoparticles Implanted on N‐Doped Graphitic Sheet

(2019) Jitendra N. Tiwari et al.   Advanced Energy Materials

Lattice doping regulated interfacial reactions in cathode for enhanced cycling stability

(2019) Lianfeng Zou et al.   Nature Communications

Understanding Performance Degradation in Cation‐Disordered Rock‐Salt Oxide Cathodes

(2019) Dongchang Chen et al.   Advanced Energy Materials

Quantifying inactive lithium in lithium metal batteries

(2019) Chengcheng Fang et al.   NATURE

Fundamentals of inorganic solid-state electrolytes for batteries

(2019) Theodosios Famprikis et al.   NATURE MATERIALS

Structural insights into the formation and voltage degradation of lithium- and manganese-rich layered oxides

(2019) Weibo Hua et al.   Nature Communications

Reversible Mn2+/Mn4+ double redox in lithium-excess cathode materials

(2018) Jinhyuk Lee et al.   NATURE

Oxygen redox chemistry without excess alkali-metal ions in Na2/3[Mg0.28Mn0.72]O2

(2018) Urmimala Maitra et al.   Nature Chemistry

Elucidating anionic oxygen activity in lithium-rich layered oxides

(2018) Jing Xu et al.   Nature Communications

Fundamental understanding and practical challenges of anionic redox activity in Li-ion batteries

(2018) Gaurav Assat et al.   Nature Energy

Nucleation of dislocations and their dynamics in layered oxide cathode materials during battery charging

(2018) A. Singer et al.   Nature Energy

Alleviating oxygen evolution from Li-excess oxide materials through theory-guided surface protection

(2018) Yongwoo Shin et al.   Nature Communications

Improved Cycling Performance of Li-Excess Cation-Disordered Cathode Materials upon Fluorine Substitution

(2018) Zhengyan Lun et al.   Advanced Energy Materials

Mitigating oxygen loss to improve the cycling performance of high capacity cation-disordered cathode materials

(2017) Jinhyuk Lee et al.   Nature Communications

Narrowing the Gap between Theoretical and Practical Capacities in Li-Ion Layered Oxide Cathode Materials

(2017) Maxwell D. Radin et al.   Advanced Energy Materials

Extending the Battery Life Using an Al-Doped Li[Ni0.76Co0.09Mn0.15]O2 Cathode with Concentration Gradients for Lithium Ion Batteries

(2017) Un-Hyuck Kim et al.   ACS Energy Letters

Insights into the Performance Limits of the Li7P3S11 Superionic Conductor: A Combined First-Principles and Experimental Study

(2016) Iek-Heng Chu et al.   ACS Applied Materials & Interfaces

Performance and design considerations for lithium excess layered oxide positive electrode materials for lithium ion batteries

(2016) Sunny Hy et al.   Energy & Environmental Science

First-principles Hubbard U approach for small molecule binding in metal-organic frameworks

(2016) Gregory W. Mann et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initio and kinetic Monte Carlo study of lithium diffusion in LiSi, Li 12 Si 7 , Li 13 Si 5 and Li 15 Si 4

(2016) Janghyuk Moon et al.   JOURNAL OF POWER SOURCES

Charge-compensation in 3d-transition-metal-oxide intercalation cathodes through the generation of localized electron holes on oxygen

(2016) Kun Luo et al.   Nature Chemistry

XRD and XAFS study on structure and cation valence state of layered ruthenium oxide electrodes, Li 2 RuO 3 and Li 2 Mn 0.4 Ru 0.6 O 3 , upon electrochemical cycling

(2016) Daisuke Mori et al.   SOLID STATE IONICS

Computational studies of solid-state alkali conduction in rechargeable alkali-ion batteries

(2016) Zhi Deng et al.   NPG Asia Materials

Computational predictions of energy materials using density functional theory

(2016) Anubhav Jain et al.   Nature Reviews Materials

A Linear Response DFT+U Study of Trends in the Oxygen Evolution Activity of Transition Metal Rutile Dioxides

(2015) Zhongnan Xu et al.   Journal of Physical Chemistry C

Visualization of O-O peroxo-like dimers in high-capacity layered oxides for Li-ion batteries

(2015) E. McCalla et al.   SCIENCE

Anti-fluorite Li6CoO4 as an alternative lithium source for lithium ion capacitors: an experimental and first principles study

(2015) Young-Geun Lim et al.   Journal of Materials Chemistry A

Unlocking the Potential of Cation-Disordered Oxides for Rechargeable Lithium Batteries

(2014) J. Lee et al.   SCIENCE

The Configurational Space of Rocksalt-Type Oxides for High-Capacity Lithium Battery Electrodes

(2014) Alexander Urban et al.   Advanced Energy Materials

Quantifying Hysteresis and Voltage Fade in xLi2MnO3●(1-x)LiMn0.5Ni0.5O2Electrodes as a Function of Li2MnO3Content

(2013) Jason R. Croy et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Reversible anionic redox chemistry in high-capacity layered-oxide electrodes

(2013) M. Sathiya et al.   NATURE MATERIALS

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

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

Phase stability, electrochemical stability and ionic conductivity of the Li10±1MP2X12(M = Ge, Si, Sn, Al or P, and X = O, S or Se) family of superionic conductors

(2012) Shyue Ping Ong et al.   Energy & Environmental Science

First Principles Study of the Li10GeP2S12 Lithium Super Ionic Conductor Material

(2011) Yifei Mo et al.   CHEMISTRY OF MATERIALS

Voltage, stability and diffusion barrier differences between sodium-ion and lithium-ion intercalation materials

(2011) Shyue Ping Ong et al.   Energy & Environmental Science

Challenges in the development of advanced Li-ion batteries: a review

(2011) Vinodkumar Etacheri et al.   Energy & Environmental Science

First principles computational materials design for energy storage materials in lithium ion batteries

(2009) Ying Shirley Meng et al.   Energy & Environmental Science

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

(2009) Alexandre Tkatchenko et al.   PHYSICAL REVIEW LETTERS