Model systems for screening and investigation of lithium metal electrode chemistry and dendrite formation

doi:10.1039/C9CP06020K

This content will become publicly available on December 11, 2020

Title: Model systems for screening and investigation of lithium metal electrode chemistry and dendrite formation

Abstract

A simple approach based on first principles leads to investigation of the origins of dendritic growth.

Authors:

^[1];

^[1]; Dermott, Micah ^[1];

^[1]

Department of Chemical Engineering, Texas A&M University, College Station, USA

Publication Date:: 2020-01-02

Sponsoring Org.:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)

OSTI Identifier:: 1579578

Grant/Contract Number:: EE-0008210; EE0007766

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Chemistry Chemical Physics. PCCP (Print)

Additional Journal Information:: Journal Name: Physical Chemistry Chemical Physics. PCCP (Print) Journal Volume: 22 Journal Issue: 2; Journal ID: ISSN 1463-9076

Publisher:: Royal Society of Chemistry (RSC)

Country of Publication:: United Kingdom

Language:: English

Citation Formats


                    Kamphaus, Ethan P., Hight, Karoline, Dermott, Micah, and Balbuena, Perla B. Model systems for screening and investigation of lithium metal electrode chemistry and dendrite formation.  United Kingdom: N. p., 2020. 
        Web.  doi:10.1039/C9CP06020K.

Copy to clipboard


                    Kamphaus, Ethan P., Hight, Karoline, Dermott, Micah, & Balbuena, Perla B. Model systems for screening and investigation of lithium metal electrode chemistry and dendrite formation.  United Kingdom.  doi:10.1039/C9CP06020K.

Copy to clipboard


                    Kamphaus, Ethan P., Hight, Karoline, Dermott, Micah, and Balbuena, Perla B. Thu .  
        "Model systems for screening and investigation of lithium metal electrode chemistry and dendrite formation".  United Kingdom.  doi:10.1039/C9CP06020K.

Copy to clipboard


                    
@article{osti_1579578,

  title        = {Model systems for screening and investigation of lithium metal electrode chemistry and dendrite formation},

  author       = {Kamphaus, Ethan P. and Hight, Karoline and Dermott, Micah and Balbuena, Perla B.},

  abstractNote = {A simple approach based on first principles leads to investigation of the origins of dendritic growth.},

  doi          = {10.1039/C9CP06020K},

  journal      = {Physical Chemistry Chemical Physics. PCCP (Print)},

  number       = 2,

  volume       = 22,

  place        = {United Kingdom},

  year         = {2020},

  month        = {1}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

This content will become publicly available on December 11, 2020

Publisher's Version of Record

DOI: 10.1039/C9CP06020K

Other availability

Search WorldCat to find libraries that may hold this journal

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Dendrite formation in Li-metal anodes: an atomistic molecular dynamics study
journal, January 2019

Selis, Luis A.; Seminario, Jorge M.
RSC Advances, Vol. 9, Issue 48
DOI: 10.1039/C9RA05067A

Theoretical studies of the global minima and polarizabilities of small lithium clusters
journal, January 2016

Hu, Han-Shi; Zhao, Ya-Fan; Hammond, Jeff R.
Chemical Physics Letters, Vol. 644
DOI: 10.1016/j.cplett.2015.11.049

In Situ TEM Investigation of Electron Irradiation Induced Metastable States in Lithium-Ion Battery Cathodes: Li ₂ FeSiO ₄ versus LiFePO ₄
journal, June 2018

Wei, Bin; Lu, Xia; Voisard, Frédéric
ACS Applied Energy Materials, Vol. 1, Issue 7
DOI: 10.1021/acsaem.8b00391

Density‐functional thermochemistry. III. The role of exact exchange
journal, April 1993

Becke, Axel D.
The Journal of Chemical Physics, Vol. 98, Issue 7, p. 5648-5652
DOI: 10.1063/1.464913

Formation and Growth Mechanisms of Solid-Electrolyte Interphase Layers in Rechargeable Batteries
journal, November 2015

Soto, Fernando A.; Ma, Yuguang; Martinez de la Hoz, Julibeth M.
Chemistry of Materials, Vol. 27, Issue 23
DOI: 10.1021/acs.chemmater.5b03358

Fitting Molecular Electrostatic Potentials from Quantum Mechanical Calculations
journal, March 2007

Hu, Hao; Lu, Zhenyu; Yang, Weitao
Journal of Chemical Theory and Computation, Vol. 3, Issue 3
DOI: 10.1021/ct600295n

Evaluation and Stability of PEDOT Polymer Electrodes for Li–O ₂ Batteries
journal, September 2016

Amanchukwu, Chibueze V.; Gauthier, Magali; Batcho, Thomas P.
The Journal of Physical Chemistry Letters, Vol. 7, Issue 19
DOI: 10.1021/acs.jpclett.6b01986

Reactivity at the Lithium–Metal Anode Surface of Lithium–Sulfur Batteries
journal, November 2015

Camacho-Forero, Luis E.; Smith, Taylor W.; Bertolini, Samuel
The Journal of Physical Chemistry C, Vol. 119, Issue 48
DOI: 10.1021/acs.jpcc.5b08254

A new population analysis based on atomic polar tensors
journal, October 1989

Cioslowski, J.
Journal of the American Chemical Society, Vol. 111, Issue 22
DOI: 10.1021/ja00204a001

A short review of failure mechanisms of lithium metal and lithiated graphite anodes in liquid electrolyte solutions
journal, June 2002

Aurbach, D.
Solid State Ionics, Vol. 148, Issue 3-4
DOI: 10.1016/S0167-2738(02)00080-2

From Isolated Ions to Multilayer Functional Materials Using Ion Soft Landing
journal, November 2018

Laskin, Julia; Johnson, Grant E.; Warneke, Jonas
Angewandte Chemie International Edition, Vol. 57, Issue 50
DOI: 10.1002/anie.201712296

Non-Nuclear Attractor in a Molecular Compound under External Pressure: Non-Nuclear Attractor in a Molecular Compound under External Pressure
journal, October 2014

Wu, Lai-Chin; Jones, Cameron; Stasch, Andreas
European Journal of Inorganic Chemistry, Vol. 2014, Issue 32
DOI: 10.1002/ejic.201402606

The formation and stability of the solid electrolyte interface on the graphite anode
journal, December 2014

Agubra, Victor A.; Fergus, Jeffrey W.
Journal of Power Sources, Vol. 268
DOI: 10.1016/j.jpowsour.2014.06.024

Reviving Lithium-Metal Anodes for Next-Generation High-Energy Batteries
journal, June 2017

Guo, Yanpeng; Li, Huiqiao; Zhai, Tianyou
Advanced Materials, Vol. 29, Issue 29
DOI: 10.1002/adma.201700007

A Flexible Solid Electrolyte Interphase Layer for Long-Life Lithium Metal Anodes
journal, January 2018

Li, Nian-Wu; Shi, Yang; Yin, Ya-Xia
Angewandte Chemie International Edition, Vol. 57, Issue 6
DOI: 10.1002/anie.201710806

Role of Inorganic Surface Layer on Solid Electrolyte Interphase Evolution at Li-Metal Anodes
journal, August 2019

Kamphaus, Ethan P.; Angarita-Gomez, Stefany; Qin, Xueping
ACS Applied Materials & Interfaces, Vol. 11, Issue 34
DOI: 10.1021/acsami.9b07587

Reviving the lithium metal anode for high-energy batteries
journal, March 2017

Lin, Dingchang; Liu, Yayuan; Cui, Yi
Nature Nanotechnology, Vol. 12, Issue 3
DOI: 10.1038/nnano.2017.16

Elucidating electrolyte decomposition under electron-rich environments at the lithium-metal anode
journal, January 2017

Camacho-Forero, Luis E.; Balbuena, Perla B.
Physical Chemistry Chemical Physics, Vol. 19, Issue 45
DOI: 10.1039/C7CP06485C

A complete basis set model chemistry. I. The total energies of closed‐shell atoms and hydrides of the first‐row elements
journal, August 1988

Petersson, G. A.; Bennett, Andrew; Tensfeldt, Thomas G.
The Journal of Chemical Physics, Vol. 89, Issue 4
DOI: 10.1063/1.455064

Systematic Theoretical Study of Non-nuclear Electron Density Maxima in Some Diatomic Molecules
journal, September 2013

Terrabuio, Luiz A.; Teodoro, Tiago Q.; Rachid, Marina G.
The Journal of Physical Chemistry A, Vol. 117, Issue 40
DOI: 10.1021/jp406992q

Nanoscale Imaging of Fundamental Li Battery Chemistry: Solid-Electrolyte Interphase Formation and Preferential Growth of Lithium Metal Nanoclusters
journal, February 2015

Sacci, Robert L.; Black, Jennifer M.; Balke, Nina
Nano Letters, Vol. 15, Issue 3
DOI: 10.1021/nl5048626

Simulation and Experiment on Solid Electrolyte Interphase (SEI) Morphology Evolution and Lithium-Ion Diffusion
journal, January 2015

Guan, Pengjian; Liu, Lin; Lin, Xianke
Journal of The Electrochemical Society, Vol. 162, Issue 9
DOI: 10.1149/2.0521509jes

A complete basis set model chemistry. II. Open‐shell systems and the total energies of the first‐row atoms
journal, May 1991

Petersson, G. A.; Al‐Laham, Mohammad A.
The Journal of Chemical Physics, Vol. 94, Issue 9
DOI: 10.1063/1.460447

Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions
journal, May 1992

Kendall, Rick A.; Dunning, Thom H.; Harrison, Robert J.
The Journal of Chemical Physics, Vol. 96, Issue 9
DOI: 10.1063/1.462569

Factors of Kinetics Processes in Lithium–Sulfur Reactions
journal, May 2019

Tang, Xiaonan; Xu, Zichen; Sun, Zhenhua
Energy Technology, Vol. 7, Issue 12
DOI: 10.1002/ente.201900574

Mixed Mode Growth Model for the Solid Electrolyte Interface (SEI)
journal, January 2019

Kamyab, Niloofar; Weidner, John W.; White, Ralph E.
Journal of The Electrochemical Society, Vol. 166, Issue 2
DOI: 10.1149/2.1101902jes

An Artificial Solid Electrolyte Interphase with High Li-Ion Conductivity, Mechanical Strength, and Flexibility for Stable Lithium Metal Anodes
journal, December 2016

Liu, Yayuan; Lin, Dingchang; Yuen, Pak Yan
Advanced Materials, Vol. 29, Issue 10
DOI: 10.1002/adma.201605531

Interfaces in Solid-State Lithium Batteries
journal, October 2018

Xu, Lin; Tang, Shun; Cheng, Yu
Joule, Vol. 2, Issue 10
DOI: 10.1016/j.joule.2018.07.009

In Situ Chemical Imaging of Solid-Electrolyte Interphase Layer Evolution in Li–S Batteries
journal, May 2017

Nandasiri, Manjula I.; Camacho-Forero, Luis E.; Schwarz, Ashleigh M.
Chemistry of Materials, Vol. 29, Issue 11
DOI: 10.1021/acs.chemmater.7b00374

Dendrites and Pits: Untangling the Complex Behavior of Lithium Metal Anodes through Operando Video Microscopy
journal, October 2016

Wood, Kevin N.; Kazyak, Eric; Chadwick, Alexander F.
ACS Central Science, Vol. 2, Issue 11
DOI: 10.1021/acscentsci.6b00260

Towards High-Safe Lithium Metal Anodes: Suppressing Lithium Dendrites via Tuning Surface Energy
journal, July 2016

Wang, Dong; Zhang, Wei; Zheng, Weitao
Advanced Science, Vol. 4, Issue 1
DOI: 10.1002/advs.201600168

Quantum Mechanical Continuum Solvation Models
journal, August 2005

Tomasi, Jacopo; Mennucci, Benedetta; Cammi, Roberto
Chemical Reviews, Vol. 105, Issue 8
DOI: 10.1021/cr9904009

Combining theory and experiment in electrocatalysis: Insights into materials design
journal, January 2017

Seh, Zhi Wei; Kibsgaard, Jakob; Dickens, Colin F.
Science, Vol. 355, Issue 6321
DOI: 10.1126/science.aad4998

Theoretical study on reduction mechanism of 1,3-benzodioxol-2-one for the formation of solid electrolyte interface on anode of lithium ion battery
journal, April 2009

Xing, L. D.; Wang, C. Y.; Xu, M. Q.
Journal of Power Sources, Vol. 189, Issue 1
DOI: 10.1016/j.jpowsour.2008.08.076

Bulk Nanostructured Materials Design for Fracture‐Resistant Lithium Metal Anodes
journal, February 2019

Liu, Shan; Deng, Lijun; Guo, Wenqing
Advanced Materials, Vol. 31, Issue 15
DOI: 10.1002/adma.201807585

Materials for lithium-ion battery safety
journal, June 2018

Liu, Kai; Liu, Yayuan; Lin, Dingchang
Science Advances, Vol. 4, Issue 6
DOI: 10.1126/sciadv.aas9820

GEPOL: An improved description of molecular surfaces. III. A new algorithm for the computation of a solvent-excluding surface: GEPOL
journal, October 1994

Pascual-ahuir, J. L.; Silla, E.; Tuñon, I.
Journal of Computational Chemistry, Vol. 15, Issue 10
DOI: 10.1002/jcc.540151009

Review—SEI: Past, Present and Future
journal, January 2017

Peled, E.; Menkin, S.
Journal of The Electrochemical Society, Vol. 164, Issue 7
DOI: 10.1149/2.1441707jes

Similar records in OSTI.GOV collections:

Machine Learning Enabled Computational Screening of Inorganic Solid Electrolytes for Suppression of Dendrite Formation in Lithium Metal Anodes

Journal Article Ahmad, Zeeshan ; Xie, Tian ; Maheshwari, Chinmay ; ... - ACS Central Science

Next generation batteries based on lithium (Li) metal anodes have been plagued by the dendritic electrodeposition of Li metal on the anode during cycling, resulting in short circuit and capacity loss. Suppression of dendritic growth through the use of solid electrolytes has emerged as one of the most promising strategies for enabling the use of Li metal anodes. We perform a computational screening of over 12,000 inorganic solids based on their ability to suppress dendrite initiation in contact with Li metal anode. Properties for mechanically isotropic and anisotropic interfaces that can be used in stability criteria for determining the propensitymore »« less
Cited by 6
DOI: 10.1021/acscentsci.8b00229
Machine Learning Enabled Computational Screening of Inorganic Solid Electrolytes for Suppression of Dendrite Formation in Lithium Metal Anodes

Journal Article Ahmad, Zeeshan ; Xie, Tian ; Maheshwari, Chinmay ; ... - ACS Central Science

Next generation batteries based on lithium (Li) metal anodes have been plagued by the dendritic electrodeposition of Li metal on the anode during cycling, resulting in short circuit and capacity loss. Suppression of dendritic growth through the use of solid electrolytes has emerged as one of the most promising strategies for enabling the use of Li metal anodes. We perform a computational screening of over 12,000 inorganic solids based on their ability to suppress dendrite initiation in contact with Li metal anode. Properties for mechanically isotropic and anisotropic interfaces that can be used in stability criteria for determining the propensitymore »« less
Cited by 6
DOI: 10.1021/acscentsci.8b00229

Full Text Available
Machine Learning Enabled Computational Screening of Inorganic Solid Electrolytes for Suppression of Dendrite Formation in Lithium Metal Anodes

Journal Article Ahmad, Zeeshan ; Xie, Tian ; Maheshwari, Chinmay ; ... - ACS Central Science

Next generation batteries based on lithium (Li) metal anodes have been plagued by the dendritic electrodeposition of Li metal on the anode during cycling, resulting in short circuit and capacity loss. Suppression of dendritic growth through the use of solid electrolytes has emerged as one of the most promising strategies for enabling the use of Li metal anodes. We perform a computational screening of over 12 000 inorganic solids based on their ability to suppress dendrite initiation in contact with Li metal anode. Properties for mechanically isotropic and anisotropic interfaces that can be used in stability criteria for determining themore »« less
Cited by 1
DOI: 10.1021/acscentsci.8b00229

Full Text Available
Correlating Microstructural Lithium Metal Growth with Electrolyte Salt Depletion in Lithium Batteries Using ⁷ Li MRI

Journal Article Chang, Hee Jung ; Ilott, Andrew J. ; Trease, Nicole M. ; ... - Journal of the American Chemical Society

Lithium dendrite growth in lithium ion and lithium rechargeable batteries is associated with severe safety concerns. To overcome these problems, a fundamental understanding of the growth mechanism of dendrites under working conditions is needed. In this work, in situ 7Li magnetic resonance (MRI) is performed on both the electrolyte and lithium metal electrodes in symmetric lithium cells, allowing the behavior of the electrolyte concentration gradient to be studied and correlated with the type and rate of microstructure growth on the Li metal electrode. For this purpose, chemical shift (CS) imaging of the metal electrodes is a particularly sensitive diagnostic method,more »« less
DOI: 10.1021/jacs.5b09385
Nanostructured Electrolytes for Stable Lithium Electrodeposition in Secondary Batteries

Journal Article Tu, Zhengyuan ; Nath, Pooja ; Lu, Yingying ; ... - Accounts of Chemical Research

Secondary batteries based on lithium are the most significant energy storage technology for contemporary portable devices. The lithium ion battery (LIB) in widespread commercial use today is a compromise technology. It compromises high energy, high power, and design flexibility for long cell operating lifetimes and safety. Materials science, transport phenomena, and electrochemistry in the electrodes and electrolyte that constitute such batteries are areas of active study worldwide because significant improvements in storage capacity and cell lifetime are required to meet new demands, including the electrification of transportation and for powering emerging autonomous aircraft and robotics technologies. By replacing the carbonaceousmore »« less
Cited by 94
DOI: 10.1021/acs.accounts.5b00427

Full Text Available

Similar Records

This content will become publicly available on December 11, 2020

Title: Model systems for screening and investigation of lithium metal electrode chemistry and dendrite formation

Abstract

Citation Formats

Dendrite formation in Li-metal anodes: an atomistic molecular dynamics study journal, January 2019

Theoretical studies of the global minima and polarizabilities of small lithium clusters journal, January 2016

In Situ TEM Investigation of Electron Irradiation Induced Metastable States in Lithium-Ion Battery Cathodes: Li 2 FeSiO 4 versus LiFePO 4 journal, June 2018

Density‐functional thermochemistry. III. The role of exact exchange journal, April 1993

Formation and Growth Mechanisms of Solid-Electrolyte Interphase Layers in Rechargeable Batteries journal, November 2015

Fitting Molecular Electrostatic Potentials from Quantum Mechanical Calculations journal, March 2007

Evaluation and Stability of PEDOT Polymer Electrodes for Li–O 2 Batteries journal, September 2016

Reactivity at the Lithium–Metal Anode Surface of Lithium–Sulfur Batteries journal, November 2015

A new population analysis based on atomic polar tensors journal, October 1989

A short review of failure mechanisms of lithium metal and lithiated graphite anodes in liquid electrolyte solutions journal, June 2002

From Isolated Ions to Multilayer Functional Materials Using Ion Soft Landing journal, November 2018

Non-Nuclear Attractor in a Molecular Compound under External Pressure: Non-Nuclear Attractor in a Molecular Compound under External Pressure journal, October 2014

The formation and stability of the solid electrolyte interface on the graphite anode journal, December 2014

Reviving Lithium-Metal Anodes for Next-Generation High-Energy Batteries journal, June 2017

A Flexible Solid Electrolyte Interphase Layer for Long-Life Lithium Metal Anodes journal, January 2018

Role of Inorganic Surface Layer on Solid Electrolyte Interphase Evolution at Li-Metal Anodes journal, August 2019

Reviving the lithium metal anode for high-energy batteries journal, March 2017

Elucidating electrolyte decomposition under electron-rich environments at the lithium-metal anode journal, January 2017

A complete basis set model chemistry. I. The total energies of closed‐shell atoms and hydrides of the first‐row elements journal, August 1988

Systematic Theoretical Study of Non-nuclear Electron Density Maxima in Some Diatomic Molecules journal, September 2013

Nanoscale Imaging of Fundamental Li Battery Chemistry: Solid-Electrolyte Interphase Formation and Preferential Growth of Lithium Metal Nanoclusters journal, February 2015

Simulation and Experiment on Solid Electrolyte Interphase (SEI) Morphology Evolution and Lithium-Ion Diffusion journal, January 2015

A complete basis set model chemistry. II. Open‐shell systems and the total energies of the first‐row atoms journal, May 1991

Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions journal, May 1992

Factors of Kinetics Processes in Lithium–Sulfur Reactions journal, May 2019

Mixed Mode Growth Model for the Solid Electrolyte Interface (SEI) journal, January 2019

An Artificial Solid Electrolyte Interphase with High Li-Ion Conductivity, Mechanical Strength, and Flexibility for Stable Lithium Metal Anodes journal, December 2016

Interfaces in Solid-State Lithium Batteries journal, October 2018

In Situ Chemical Imaging of Solid-Electrolyte Interphase Layer Evolution in Li–S Batteries journal, May 2017

Dendrites and Pits: Untangling the Complex Behavior of Lithium Metal Anodes through Operando Video Microscopy journal, October 2016

Towards High-Safe Lithium Metal Anodes: Suppressing Lithium Dendrites via Tuning Surface Energy journal, July 2016

Quantum Mechanical Continuum Solvation Models journal, August 2005

Combining theory and experiment in electrocatalysis: Insights into materials design journal, January 2017

Theoretical study on reduction mechanism of 1,3-benzodioxol-2-one for the formation of solid electrolyte interface on anode of lithium ion battery journal, April 2009

Bulk Nanostructured Materials Design for Fracture‐Resistant Lithium Metal Anodes journal, February 2019

Materials for lithium-ion battery safety journal, June 2018

GEPOL: An improved description of molecular surfaces. III. A new algorithm for the computation of a solvent-excluding surface: GEPOL journal, October 1994

Review—SEI: Past, Present and Future journal, January 2017

Dendrite formation in Li-metal anodes: an atomistic molecular dynamics study
journal, January 2019

Theoretical studies of the global minima and polarizabilities of small lithium clusters
journal, January 2016

In Situ TEM Investigation of Electron Irradiation Induced Metastable States in Lithium-Ion Battery Cathodes: Li ₂ FeSiO ₄ versus LiFePO ₄
journal, June 2018

Density‐functional thermochemistry. III. The role of exact exchange
journal, April 1993

Formation and Growth Mechanisms of Solid-Electrolyte Interphase Layers in Rechargeable Batteries
journal, November 2015

Fitting Molecular Electrostatic Potentials from Quantum Mechanical Calculations
journal, March 2007

Evaluation and Stability of PEDOT Polymer Electrodes for Li–O ₂ Batteries
journal, September 2016

Reactivity at the Lithium–Metal Anode Surface of Lithium–Sulfur Batteries
journal, November 2015

A new population analysis based on atomic polar tensors
journal, October 1989

A short review of failure mechanisms of lithium metal and lithiated graphite anodes in liquid electrolyte solutions
journal, June 2002

From Isolated Ions to Multilayer Functional Materials Using Ion Soft Landing
journal, November 2018

Non-Nuclear Attractor in a Molecular Compound under External Pressure: Non-Nuclear Attractor in a Molecular Compound under External Pressure
journal, October 2014

The formation and stability of the solid electrolyte interface on the graphite anode
journal, December 2014

Reviving Lithium-Metal Anodes for Next-Generation High-Energy Batteries
journal, June 2017

A Flexible Solid Electrolyte Interphase Layer for Long-Life Lithium Metal Anodes
journal, January 2018

Role of Inorganic Surface Layer on Solid Electrolyte Interphase Evolution at Li-Metal Anodes
journal, August 2019

Reviving the lithium metal anode for high-energy batteries
journal, March 2017

Elucidating electrolyte decomposition under electron-rich environments at the lithium-metal anode
journal, January 2017

A complete basis set model chemistry. I. The total energies of closed‐shell atoms and hydrides of the first‐row elements
journal, August 1988

Systematic Theoretical Study of Non-nuclear Electron Density Maxima in Some Diatomic Molecules
journal, September 2013

Nanoscale Imaging of Fundamental Li Battery Chemistry: Solid-Electrolyte Interphase Formation and Preferential Growth of Lithium Metal Nanoclusters
journal, February 2015

Simulation and Experiment on Solid Electrolyte Interphase (SEI) Morphology Evolution and Lithium-Ion Diffusion
journal, January 2015

A complete basis set model chemistry. II. Open‐shell systems and the total energies of the first‐row atoms
journal, May 1991

Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions
journal, May 1992

Factors of Kinetics Processes in Lithium–Sulfur Reactions
journal, May 2019

Mixed Mode Growth Model for the Solid Electrolyte Interface (SEI)
journal, January 2019

An Artificial Solid Electrolyte Interphase with High Li-Ion Conductivity, Mechanical Strength, and Flexibility for Stable Lithium Metal Anodes
journal, December 2016

Interfaces in Solid-State Lithium Batteries
journal, October 2018

In Situ Chemical Imaging of Solid-Electrolyte Interphase Layer Evolution in Li–S Batteries
journal, May 2017

Dendrites and Pits: Untangling the Complex Behavior of Lithium Metal Anodes through Operando Video Microscopy
journal, October 2016

Towards High-Safe Lithium Metal Anodes: Suppressing Lithium Dendrites via Tuning Surface Energy
journal, July 2016

Quantum Mechanical Continuum Solvation Models
journal, August 2005

Combining theory and experiment in electrocatalysis: Insights into materials design
journal, January 2017

Theoretical study on reduction mechanism of 1,3-benzodioxol-2-one for the formation of solid electrolyte interface on anode of lithium ion battery
journal, April 2009

Bulk Nanostructured Materials Design for Fracture‐Resistant Lithium Metal Anodes
journal, February 2019

Materials for lithium-ion battery safety
journal, June 2018

GEPOL: An improved description of molecular surfaces. III. A new algorithm for the computation of a solvent-excluding surface: GEPOL
journal, October 1994

Review—SEI: Past, Present and Future
journal, January 2017