Interfaces in Solid Electrolyte Interphase: Implications for Lithium-Ion Batteries

Performance Metrics Required of Next-Generation Batteries to Electrify Commercial Aircraft

(2020) Alexander Bills et al.   ACS Energy Letters

Li2O Solid Electrolyte Interphase: Probing Transport Properties at the Chemical Potential of Lithium

(2020) Rui Guo et al.   CHEMISTRY OF MATERIALS

Direct Operando Observation of Double Layer Charging and Early Solid Electrolyte Interphase Formation in Li-Ion Battery Electrolytes

(2020) Nataliia Mozhzhukhina et al.   Journal of Physical Chemistry Letters

Universal chemomechanical design rules for solid-ion conductors to prevent dendrite formation in lithium metal batteries

(2020) Chengyin Fu et al.   NATURE MATERIALS

Interfaces and Interphases in All-Solid-State Batteries with Inorganic Solid Electrolytes

(2020) Abhik Banerjee et al.   CHEMICAL REVIEWS

Design principles for self-forming interfaces enabling stable lithium-metal anodes

(2020) Yingying Zhu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Design rules for liquid crystalline electrolytes for enabling dendrite-free lithium metal batteries

(2020) Zeeshan Ahmad et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Beyond Transition Metal Oxide Cathodes for Electric Aviation: The Case of Rechargeable CFx

(2020) Venkatesh Krishnamurthy et al.   ACS Energy Letters

High electronic conductivity as the origin of lithium dendrite formation within solid electrolytes

(2019) Fudong Han et al.   Nature Energy

Lithium Diffusion Mechanism through Solid-Electrolyte Interphase (SEI) In Rechargeable Lithium Batteries

(2019) Ajaykrishna Ramasubramanian et al.   Journal of Physical Chemistry C

Interfacial Electronic Properties Dictate Li Dendrite Growth in Solid Electrolytes

(2019) Hong-Kang Tian et al.   CHEMISTRY OF MATERIALS

Predicting Wettability and the Electrochemical Window of Lithium-Metal/Solid Electrolyte Interfaces

(2019) Kwangnam Kim et al.   ACS Applied Materials & Interfaces

30 Years of Lithium-Ion Batteries

(2018) Matthew Li et al.   ADVANCED MATERIALS

Kinetics-Controlled Degradation Reactions at Crystalline LiPON/Li x CoO2 and Crystalline LiPON/Li-Metal Interfaces

(2018) Kevin Leung et al.   ChemSusChem

Factors Limiting Li + Charge Transfer Kinetics in Li-Ion Batteries

(2018) T. Richard Jow et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Review on modeling of the anode solid electrolyte interphase (SEI) for lithium-ion batteries

(2018) Aiping Wang et al.   npj Computational Materials

Self-healing SEI enables full-cell cycling of a silicon-majority anode with a coulombic efficiency exceeding 99.9%

(2017) Yang Jin et al.   Energy & Environmental Science

Advanced capabilities for materials modelling with Quantum ESPRESSO

(2017) P Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

The atomic simulation environment—a Python library for working with atoms

(2017) Ask Hjorth Larsen et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Ion Diffusivity through the Solid Electrolyte Interphase in Lithium-Ion Batteries

(2017) Laura Benitez et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Ionic correlations and failure of Nernst-Einstein relation in solid-state electrolytes

(2017) Aris Marcolongo et al.   PHYSICAL REVIEW MATERIALS

Role of anisotropy in determining stability of electrodeposition at solid-solid interfaces

(2017) Zeeshan Ahmad et al.   PHYSICAL REVIEW MATERIALS

Computational Exploration of the Li-Electrode|Electrolyte Interface in the Presence of a Nanometer Thick Solid-Electrolyte Interphase Layer

(2016) Yunsong Li et al.   ACCOUNTS OF CHEMICAL RESEARCH

Design of Nanostructured Heterogeneous Solid Ionic Coatings through a Multiscale Defect Model

(2016) Jie Pan et al.   ACS Applied Materials & Interfaces

An Artificial Solid Electrolyte Interphase with High Li-Ion Conductivity, Mechanical Strength, and Flexibility for Stable Lithium Metal Anodes

(2016) Yayuan Liu et al.   ADVANCED MATERIALS

The Development and Future of Lithium Ion Batteries

(2016) George E. Blomgren   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Synergetic Effects of Inorganic Components in Solid Electrolyte Interphase on High Cycle Efficiency of Lithium Ion Batteries

(2016) Qinglin Zhang et al.   NANO LETTERS

Surface energies of elemental crystals

(2016) Richard Tran et al.   Scientific Data

Origin of Outstanding Stability in the Lithium Solid Electrolyte Materials: Insights from Thermodynamic Analyses Based on First-Principles Calculations

(2015) Yizhou Zhu et al.   ACS Applied Materials & Interfaces

Ion Dynamics in Li2CO3 Studied by Solid-State NMR and First-Principles Calculations

(2015) Matthew T. Dunstan et al.   Journal of Physical Chemistry C

"Water-in-salt" electrolyte enables high-voltage aqueous lithium-ion chemistries

(2015) L. Suo et al.   SCIENCE

A Review of Solid Electrolyte Interphases on Lithium Metal Anode

(2015) Xin-Bing Cheng et al.   Advanced Science

XSEDE: Accelerating Scientific Discovery

(2014) John Towns et al.   COMPUTING IN SCIENCE & ENGINEERING

Pseudopotentials for high-throughput DFT calculations

(2013) Kevin F. Garrity et al.   COMPUTATIONAL MATERIALS SCIENCE

Defect Thermodynamics and Diffusion Mechanisms in Li2CO3 and Implications for the Solid Electrolyte Interphase in Li-Ion Batteries

(2013) Siqi Shi et al.   Journal of Physical Chemistry C

Efficient creation and convergence of surface slabs

(2013) Wenhao Sun et al.   SURFACE SCIENCE

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

(2012) Shyue Ping Ong et al.   COMPUTATIONAL MATERIALS SCIENCE

Direct Calculation of Li-Ion Transport in the Solid Electrolyte Interphase

(2012) Siqi Shi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Interfacing electrolytes with electrodes in Li ion batteries

(2011) Kang Xu et al.   JOURNAL OF MATERIALS CHEMISTRY

Electrical and Lithium Ion Dynamics in Three Main Components of Solid Electrolyte Interphase from Density Functional Theory Study

(2011) Y. C. Chen et al.   Journal of Physical Chemistry C

A High Precision Study of the Coulombic Efficiency of Li-Ion Batteries

(2010) A. J. Smith et al.   ELECTROCHEMICAL AND SOLID STATE LETTERS

A review of the features and analyses of the solid electrolyte interphase in Li-ion batteries

(2010) Pallavi Verma et al.   ELECTROCHIMICA ACTA

Li Ion Diffusion Mechanisms in Bulk Monoclinic Li2CO3 Crystals from Density Functional Studies

(2010) H. Iddir et al.   Journal of Physical Chemistry C

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

(2010) J Enkovaara et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Precision Measurements of the Coulombic Efficiency of Lithium-Ion Batteries and of Electrode Materials for Lithium-Ion Batteries

(2010) A. J. Smith et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Ab initio molecular dynamics simulations of the initial stages of solid–electrolyte interphase formation on lithium ion battery graphitic anodes

(2010) Kevin Leung et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

(2009) Paolo Giannozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

The Solid Electrolyte Interphase – The Most Important and the Least Understood Solid Electrolyte in Rechargeable Li Batteries

(2009) Martin Winter   ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS