Machine Learning Predicts the X-ray Photoelectron Spectroscopy of the Solid Electrolyte Interface of Lithium Metal Battery

The DFT-ReaxFF Hybrid Reactive Dynamics Method with Application to the Reductive Decomposition Reaction of the TFSI and DOL Electrolyte at a Lithium–Metal Anode Surface

(2021) Yue Liu et al.   Journal of Physical Chemistry Letters

Poor Stability of Li 2 CO 3 in the Solid Electrolyte Interphase of a Lithium‐Metal Anode Revealed by Cryo‐Electron Microscopy

(2021) Bing Han et al.   ADVANCED MATERIALS

Dual‐Solvent Li‐Ion Solvation Enables High‐Performance Li‐Metal Batteries

(2021) Hansen Wang et al.   ADVANCED MATERIALS

Effects of High and Low Salt Concentrations in Electrolytes at Lithium–Metal Anode Surfaces Using DFT-ReaxFF Hybrid Molecular Dynamics Method

(2021) Yue Liu et al.   Journal of Physical Chemistry Letters

Machine learning prediction of activation energy in cubic Li-argyrodites with hierarchically encoding crystal structure-based (HECS) descriptors

(2021) Qian Zhao et al.   Science Bulletin

Predictions of Chemical Shifts for Reactive Intermediates in CO2 Reduction under Operando Conditions

(2021) Hao Yang et al.   ACS Applied Materials & Interfaces

Machine Learning for Chemical Reactions

(2021) Markus Meuwly   CHEMICAL REVIEWS

Artificial Intelligence Applied to Battery Research: Hype or Reality?

(2021) Teo Lombardo et al.   CHEMICAL REVIEWS

Machine-Learning Approach for Predicting the Discharging Capacities of Doped Lithium Nickel–Cobalt–Manganese Cathode Materials in Li-Ion Batteries

(2021) Guanyu Wang et al.   ACS Central Science

Predicted Operando Polymerization at Lithium Anode via Boron Insertion

(2021) Yue Liu et al.   ACS Energy Letters

Biomacromolecules enabled dendrite-free lithium metal battery and its origin revealed by cryo-electron microscopy

(2020) Zhijin Ju et al.   Nature Communications

Hollow CuS Nanoboxes as Li‐Free Cathode for High‐Rate and Long‐Life Lithium Metal Batteries

(2020) Yawei Chen et al.   Advanced Energy Materials

Big-Data Science in Porous Materials: Materials Genomics and Machine Learning

(2020) Kevin Maik Jablonka et al.   CHEMICAL REVIEWS

Porous carbon framework nested nickel foam as freestanding host for high energy lithium sulfur batteries

(2020) Yan Song et al.   CHINESE CHEMICAL LETTERS

Interface chemistry of an amide electrolyte for highly reversible lithium metal batteries

(2020) Qidi Wang et al.   Nature Communications

Machine learning assisted materials design and discovery for rechargeable batteries

(2020) Yue Liu et al.   Energy Storage Materials

Recent Progress in Understanding Solid Electrolyte Interphase on Lithium Metal Anodes

(2020) Haiping Wu et al.   Advanced Energy Materials

Lithium anode stable in air for low-cost fabrication of a dendrite-free lithium battery

(2019) Xiaowei Shen et al.   Nature Communications

Classification of local chemical environments from x-ray absorption spectra using supervised machine learning

(2019) Matthew R. Carbone et al.   PHYSICAL REVIEW MATERIALS

Chemical diversity in molecular orbital energy predictions with kernel ridge regression

(2019) Annika Stuke et al.   JOURNAL OF CHEMICAL PHYSICS

Improving cyclability of Li metal batteries at elevated temperatures and its origin revealed by cryo-electron microscopy

(2019) Jiangyan Wang et al.   Nature Energy

Material search for Li-ion battery electrolytes through an exhaustive search with a Gaussian process

(2019) Tomofumi Nakayama et al.   CHEMICAL PHYSICS LETTERS

DScribe: Library of descriptors for machine learning in materials science

(2019) Lauri Himanen et al.   COMPUTER PHYSICS COMMUNICATIONS

Accurate non-bonded potentials based on periodic quantum mechanics calculations for use in molecular simulations of materials and systems

(2019) Saber Naserifar et al.   JOURNAL OF CHEMICAL PHYSICS

A multifunctional polymer electrolyte enables ultra-long cycle-life in a high-voltage lithium metal battery

(2018) Tiantian Dong et al.   Energy & Environmental Science

Lithium metal stripping beneath the solid electrolyte interphase

(2018) Feifei Shi et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Machine learning assisted optimization of electrochemical properties for Ni-rich cathode materials

(2018) Kyoungmin Min et al.   Scientific Reports

Before Li Ion Batteries

(2018) Martin Winter et al.   CHEMICAL REVIEWS

Reviving the lithium metal anode for high-energy batteries

(2017) Dingchang Lin et al.   Nature Nanotechnology

Atomic structure of sensitive battery materials and interfaces revealed by cryo–electron microscopy

(2017) Yuzhang Li et al.   SCIENCE

Understanding Chemical versus Electrostatic Shifts in X-ray Photoelectron Spectra of Organic Self-Assembled Monolayers

(2016) Thomas C. Taucher et al.   Journal of Physical Chemistry C

Effects of High and Low Salt Concentration in Electrolytes at Lithium–Metal Anode Surfaces

(2016) Luis E. Camacho-Forero et al.   Journal of Physical Chemistry C

Density functional theory calculations of XPS binding energy shift for nitrogen-containing graphene-like structures

(2013) K. Artyushkova et al.   CHEMICAL COMMUNICATIONS

Characterization of a model solid electrolyte interphase/carbon interface by combined in situ Raman/Fourier transform infrared microscopy

(2013) S. Pérez-Villar et al.   ELECTROCHIMICA ACTA

Silicon Solid Electrolyte Interphase (SEI) of Lithium Ion Battery Characterized by Microscopy and Spectroscopy

(2013) Mengyun Nie et al.   Journal of Physical Chemistry C

The Li-Ion Rechargeable Battery: A Perspective

(2013) John B. Goodenough et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Interface Investigations of a Commercial Lithium Ion Battery Graphite Anode Material by Sputter Depth Profile X-ray Photoelectron Spectroscopy

(2013) Philip Niehoff et al.   LANGMUIR

In Situ X-ray Study of the Solid Electrolyte Interphase (SEI) Formation on Graphene as a Model Li-ion Battery Anode

(2012) Sudeshna Chattopadhyay et al.   CHEMISTRY OF MATERIALS

XPS investigations of electrolyte/electrode interactions for various Li-ion battery materials

(2011) S. Oswald et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Electrical Energy Storage for the Grid: A Battery of Choices

(2011) B. Dunn et al.   SCIENCE

Batteries: Higher energy density than gasoline?

(2009) Michael Fischer et al.   ENERGY POLICY