skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Atomic layer deposition and first principles modeling of glassy Li 3 BO 3 –Li 2 CO 3 electrolytes for solid-state Li metal batteries

Abstract

Glassy Li 3 BO 3 –Li 2 CO 3 ALD films are deposited and shown to have excellent stability against Li metal and high ionic conductivity.

Authors:
ORCiD logo [1]; ORCiD logo [2];  [1]; ORCiD logo [1];  [1];  [1];  [1];  [1]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [1]
  1. Department of Mechanical Engineering, University of Michigan, Ann Arbor, USA
  2. Department of Materials Science and Engineering, University of Michigan, Ann Arbor, USA
  3. Department of Mechanical Engineering, University of Michigan, Ann Arbor, USA, Department of Materials Science and Engineering
Publication Date:
Sponsoring Org.:
USDOE Advanced Research Projects Agency - Energy (ARPA-E)
OSTI Identifier:
1475466
Grant/Contract Number:  
AR-0000653
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Materials Chemistry. A
Additional Journal Information:
Journal Name: Journal of Materials Chemistry. A Journal Volume: 6 Journal Issue: 40; Journal ID: ISSN 2050-7488
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Kazyak, Eric, Chen, Kuan-Hung, Davis, Andrew L., Yu, Seungho, Sanchez, Adrian J., Lasso, Jose, Bielinski, Ashley R., Thompson, Travis, Sakamoto, Jeff, Siegel, Donald J., and Dasgupta, Neil P. Atomic layer deposition and first principles modeling of glassy Li 3 BO 3 –Li 2 CO 3 electrolytes for solid-state Li metal batteries. United Kingdom: N. p., 2018. Web. doi:10.1039/C8TA08761J.
Kazyak, Eric, Chen, Kuan-Hung, Davis, Andrew L., Yu, Seungho, Sanchez, Adrian J., Lasso, Jose, Bielinski, Ashley R., Thompson, Travis, Sakamoto, Jeff, Siegel, Donald J., & Dasgupta, Neil P. Atomic layer deposition and first principles modeling of glassy Li 3 BO 3 –Li 2 CO 3 electrolytes for solid-state Li metal batteries. United Kingdom. doi:10.1039/C8TA08761J.
Kazyak, Eric, Chen, Kuan-Hung, Davis, Andrew L., Yu, Seungho, Sanchez, Adrian J., Lasso, Jose, Bielinski, Ashley R., Thompson, Travis, Sakamoto, Jeff, Siegel, Donald J., and Dasgupta, Neil P. Tue . "Atomic layer deposition and first principles modeling of glassy Li 3 BO 3 –Li 2 CO 3 electrolytes for solid-state Li metal batteries". United Kingdom. doi:10.1039/C8TA08761J.
@article{osti_1475466,
title = {Atomic layer deposition and first principles modeling of glassy Li 3 BO 3 –Li 2 CO 3 electrolytes for solid-state Li metal batteries},
author = {Kazyak, Eric and Chen, Kuan-Hung and Davis, Andrew L. and Yu, Seungho and Sanchez, Adrian J. and Lasso, Jose and Bielinski, Ashley R. and Thompson, Travis and Sakamoto, Jeff and Siegel, Donald J. and Dasgupta, Neil P.},
abstractNote = {Glassy Li 3 BO 3 –Li 2 CO 3 ALD films are deposited and shown to have excellent stability against Li metal and high ionic conductivity.},
doi = {10.1039/C8TA08761J},
journal = {Journal of Materials Chemistry. A},
number = 40,
volume = 6,
place = {United Kingdom},
year = {2018},
month = {10}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1039/C8TA08761J

Citation Metrics:
Cited by: 5 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Negating interfacial impedance in garnet-based solid-state Li metal batteries
journal, December 2016

  • Han, Xiaogang; Gong, Yunhui; Fu, Kun (Kelvin)
  • Nature Materials, Vol. 16, Issue 5
  • DOI: 10.1038/nmat4821

Atmospheric pressure spatial atomic layer deposition web coating with in situ monitoring of film thickness
journal, January 2014

  • Yersak, Alexander S.; Lee, Yung C.; Spencer, Joseph A.
  • Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 32, Issue 1
  • DOI: 10.1116/1.4850176

Nanoscale Solid State Batteries Enabled by Thermal Atomic Layer Deposition of a Lithium Polyphosphazene Solid State Electrolyte
journal, April 2017


Molecular dynamics investigation of lithium borate glasses: Local structure and ion dynamics
journal, February 2002

  • Varsamis, Cristos-Platon E.; Vegiri, Alice; Kamitsos, Efstratios I.
  • Physical Review B, Vol. 65, Issue 10
  • DOI: 10.1103/PhysRevB.65.104203

Atomic layer deposition of B-doped ZnO using triisopropyl borate as the boron precursor and comparison with Al-doped ZnO
journal, January 2015

  • Garcia-Alonso, Diana; Potts, Stephen E.; van Helvoirt, Cristian A. A.
  • Journal of Materials Chemistry C, Vol. 3, Issue 13
  • DOI: 10.1039/C4TC02707H

XPS investigation of lithium borate glass and the Li/LiBO2 interface
journal, November 1994


Bulk-Type All Solid-State Batteries with 5 V Class LiNi 0.5 Mn 1.5 O 4 Cathode and Li 10 GeP 2 S 12 Solid Electrolyte
journal, April 2016


Mechanistic Study of Lithium Aluminum Oxide Atomic Layer Deposition
journal, January 2013

  • Comstock, David J.; Elam, Jeffrey W.
  • The Journal of Physical Chemistry C, Vol. 117, Issue 4
  • DOI: 10.1021/jp308828p

Projector augmented-wave method
journal, December 1994


Issues and challenges facing rechargeable lithium batteries
journal, November 2001

  • Tarascon, J.-M.; Armand, M.
  • Nature, Vol. 414, Issue 6861, p. 359-367
  • DOI: 10.1038/35104644

New horizons for inorganic solid state ion conductors
journal, January 2018

  • Zhang, Zhizhen; Shao, Yuanjun; Lotsch, Bettina
  • Energy & Environmental Science, Vol. 11, Issue 8
  • DOI: 10.1039/C8EE01053F

Bulk-Type All-Solid-State Lithium Secondary Battery with Li2S-P2S5 Thin-Film Separator
journal, January 2012


Three-Dimensional Solid-State Lithium-Ion Batteries Fabricated by Conformal Vapor-Phase Chemistry
journal, April 2018


Origin of Outstanding Stability in the Lithium Solid Electrolyte Materials: Insights from Thermodynamic Analyses Based on First-Principles Calculations
journal, October 2015

  • Zhu, Yizhou; He, Xingfeng; Mo, Yifei
  • ACS Applied Materials & Interfaces, Vol. 7, Issue 42
  • DOI: 10.1021/acsami.5b07517

Stabilization of Lithium Metal Anodes by Hybrid Artificial Solid Electrolyte Interphase
journal, July 2017


Atomic Layer Deposition of Li x Al y S Solid-State Electrolytes for Stabilizing Lithium-Metal Anodes
journal, April 2016


Mechanochemical synthesis and crystallization of Li<sub>3</sub>BO<sub>3</sub>–Li<sub>2</sub>CO<sub>3</sub> glass electrolytes
journal, January 2016

  • Nagao, Kenji; Hayashi, Akitoshi; Tatsumisago, Masahiro
  • Journal of the Ceramic Society of Japan, Vol. 124, Issue 9
  • DOI: 10.2109/jcersj2.16114

Solid Electrolyte Lithium Phosphous Oxynitride as a Protective Nanocladding Layer for 3D High-Capacity Conversion Electrodes
journal, January 2016


Correlation between structural and electrical properties of heavily lithiated boron oxide solid electrolytes
journal, January 2008


Intergranular Li metal propagation through polycrystalline Li6.25Al0.25La3Zr2O12 ceramic electrolyte
journal, January 2017


Recent Advances in Atomic Layer Deposition
journal, March 2016


Atomic Layer Deposition of Lithium Niobium Oxides as Potential Solid-State Electrolytes for Lithium-Ion Batteries
journal, January 2018

  • Wang, Biqiong; Zhao, Yang; Banis, Mohammad Norouzi
  • ACS Applied Materials & Interfaces, Vol. 10, Issue 2
  • DOI: 10.1021/acsami.7b13467

All-Solid-State Lithium-Ion Microbatteries: A Review of Various Three-Dimensional Concepts
journal, November 2010

  • Oudenhoven, Jos F. M.; Baggetto, Loïc.; Notten, Peter H. L.
  • Advanced Energy Materials, Vol. 1, Issue 1
  • DOI: 10.1002/aenm.201000002

Atomic Layer Deposition of Lithium Phosphorus Oxynitride
journal, October 2015


New Li solid electrolytes
journal, July 1977


Lithium Metal Anodes: Toward an Improved Understanding of Coupled Morphological, Electrochemical, and Mechanical Behavior
journal, February 2017


Solid-state thin-film rechargeable batteries
journal, February 2005


Influence of Li2O-B2O3 glass on ionic migration and interfacial properties of La2/3−xLi3xTiO3 solid electrolyte
journal, May 2017


All-solid-state lithium-ion battery using Li2.2C0.8B0.2O3 electrolyte
journal, May 2016


Properties of lithium phosphorus oxynitride (Lipon) for 3D solid-state lithium batteries
journal, August 2010

  • Xu, Fan; Dudney, Nancy J.; Veith, Gabriel M.
  • Journal of Materials Research, Vol. 25, Issue 8
  • DOI: 10.1557/JMR.2010.0193

Electrochemical Nature of the Cathode Interface for a Solid-State Lithium-Ion Battery: Interface between LiCoO 2 and Garnet-Li 7 La 3 Zr 2 O 12
journal, October 2016


Atomic Layer Deposition for Lithium-Based Batteries
journal, September 2016

  • Ma, Lu; Nuwayhid, Ramsay B.; Wu, Tianpin
  • Advanced Materials Interfaces, Vol. 3, Issue 21
  • DOI: 10.1002/admi.201600564

Ultrathin Coatings on Nano-LiCoO2 for Li-Ion Vehicular Applications
journal, February 2011

  • Scott, Isaac D.; Jung, Yoon Seok; Cavanagh, Andrew S.
  • Nano Letters, Vol. 11, Issue 2, p. 414-418
  • DOI: 10.1021/nl1030198

Thermal Atomic Layer Deposition of Lithium Phosphorus Oxynitride as a Thin-Film Solid Electrolyte
journal, January 2016

  • Shibata, Satoshi
  • Journal of The Electrochemical Society, Vol. 163, Issue 13
  • DOI: 10.1149/2.0371613jes

Atomic Layer Deposition and in Situ Characterization of Ultraclean Lithium Oxide and Lithium Hydroxide
journal, November 2014

  • Kozen, Alexander C.; Pearse, Alexander J.; Lin, Chuan-Fu
  • The Journal of Physical Chemistry C, Vol. 118, Issue 48
  • DOI: 10.1021/jp509298r

Atomic Layer Deposition of the Solid Electrolyte LiPON
journal, July 2015


Atomic Layer Deposited Lithium Silicates as Solid-State Electrolytes for All-Solid-State Batteries
journal, March 2017

  • Wang, Biqiong; Liu, Jian; Norouzi Banis, Mohammad
  • ACS Applied Materials & Interfaces, Vol. 9, Issue 37
  • DOI: 10.1021/acsami.7b07113

Atomic layer deposition of B2O3/SiO2 thin films and their application in an efficient diffusion doping process
journal, January 2014

  • Kim, Woo-Hee; Oh, Il-Kwon; Kim, Min-Kyu
  • Journal of Materials Chemistry C, Vol. 2, Issue 29
  • DOI: 10.1039/c4tc00648h

Chemical stability enhancement of lithium conducting solid electrolyte plates using sputtered LiPON thin films
journal, February 2004


Atomic layer deposition of B2O3 thin films at room temperature
journal, August 2006


Thickness-dependent dc conductivity of lithium borate glasses
journal, July 2007

  • Berkemeier, Frank; Abouzari, Mohammad Reza Shoar; Schmitz, Guido
  • Physical Review B, Vol. 76, Issue 2
  • DOI: 10.1103/PhysRevB.76.024205

Grain Boundary Contributions to Li-Ion Transport in the Solid Electrolyte Li 7 La 3 Zr 2 O 12 (LLZO)
journal, November 2017


Atomic Layer Deposition of the Solid Electrolyte Garnet Li 7 La 3 Zr 2 O 12
journal, April 2017


Synthesis of ion conducting Li x Al y Si z O thin films by atomic layer deposition
journal, January 2014

  • Perng, Ya-Chuan; Cho, Jea; Sun, Steven Y.
  • J. Mater. Chem. A, Vol. 2, Issue 25
  • DOI: 10.1039/C3TA14928E

Electrical properties of lithiated boron oxide fast-ion conducting glasses
journal, January 2003

  • Horopanitis, E. E.; Perentzis, G.; Pavlidou, E.
  • Ionics, Vol. 9, Issue 1-2
  • DOI: 10.1007/BF02376543

Unexpected Improved Performance of ALD Coated LiCoO 2 /Graphite Li-Ion Batteries
journal, September 2012

  • Jung, Yoon Seok; Lu, Peng; Cavanagh, Andrew S.
  • Advanced Energy Materials, Vol. 3, Issue 2
  • DOI: 10.1002/aenm.201200370

Li 7 La 3 Zr 2 O 12 Interface Modification for Li Dendrite Prevention
journal, April 2016

  • Tsai, Chih-Long; Roddatis, Vladimir; Chandran, C. Vinod
  • ACS Applied Materials & Interfaces, Vol. 8, Issue 16
  • DOI: 10.1021/acsami.6b00831

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

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
journal, July 2013

  • Jain, Anubhav; Ong, Shyue Ping; Hautier, Geoffroy
  • APL Materials, Vol. 1, Issue 1
  • DOI: 10.1063/1.4812323

Atomic Layer Deposition of Lithium Tantalate Solid-State Electrolytes
journal, September 2013

  • Liu, Jian; Banis, Mohammad N.; Li, Xifei
  • The Journal of Physical Chemistry C, Vol. 117, Issue 39
  • DOI: 10.1021/jp4063302

Impact of air exposure and surface chemistry on Li–Li 7 La 3 Zr 2 O 12 interfacial resistance
journal, January 2017

  • Sharafi, Asma; Yu, Seungho; Naguib, Michael
  • Journal of Materials Chemistry A, Vol. 5, Issue 26
  • DOI: 10.1039/C7TA03162A

Solid electrolyte coated high voltage layered–layered lithium-rich composite cathode: Li1.2Mn0.525Ni0.175Co0.1O2
journal, January 2013

  • Martha, Surendra K.; Nanda, Jagjit; Kim, Yoongu
  • Journal of Materials Chemistry A, Vol. 1, Issue 18
  • DOI: 10.1039/c3ta10586e

Li−Fe−P−O 2 Phase Diagram from First Principles Calculations
journal, February 2008

  • Ong, Shyue Ping; Wang, Lei; Kang, Byoungwoo
  • Chemistry of Materials, Vol. 20, Issue 5
  • DOI: 10.1021/cm702327g

A high-throughput infrastructure for density functional theory calculations
journal, June 2011


ALD for clean energy conversion, utilization, and storage
journal, November 2011

  • Elam, Jeffrey W.; Dasgupta, Neil P.; Prinz, Fritz B.
  • MRS Bulletin, Vol. 36, Issue 11, p. 899-906
  • DOI: 10.1557/mrs.2011.265

Atomic Layer Deposition: An Overview
journal, January 2010

  • George, Steven M.
  • Chemical Reviews, Vol. 110, Issue 1, p. 111-131
  • DOI: 10.1021/cr900056b

LiNbO3-coated LiCoO2 as cathode material for all solid-state lithium secondary batteries
journal, July 2007


Atomic Layer Deposition of Stable LiAlF 4 Lithium Ion Conductive Interfacial Layer for Stable Cathode Cycling
journal, July 2017


All-solid-state lithium-ion and lithium metal batteries – paving the way to large-scale production
journal, April 2018


Ultra-thin LiPON films – Fundamental properties and application in solid state thin film model batteries
journal, February 2015


Surface Chemistry Mechanism of Ultra-Low Interfacial Resistance in the Solid-State Electrolyte Li 7 La 3 Zr 2 O 12
journal, September 2017


Electrochemical Window of the Li-Ion Solid Electrolyte Li 7 La 3 Zr 2 O 12
journal, January 2017


Atomic layer deposition of lithium phosphates as solid-state electrolytes for all-solid-state microbatteries
journal, November 2014


Atomic-Scale Influence of Grain Boundaries on Li-Ion Conduction in Solid Electrolytes for All-Solid-State Batteries
journal, December 2017

  • Dawson, James A.; Canepa, Pieremanuele; Famprikis, Theodosios
  • Journal of the American Chemical Society, Vol. 140, Issue 1
  • DOI: 10.1021/jacs.7b10593

Atomic Layer Deposition of Li 2 O–Al 2 O 3 Thin Films
journal, November 2011

  • Aaltonen, Titta; Nilsen, Ola; Magrasó, Anna
  • Chemistry of Materials, Vol. 23, Issue 21
  • DOI: 10.1021/cm200899k

Mechanism of Lithium Metal Penetration through Inorganic Solid Electrolytes
journal, July 2017

  • Porz, Lukas; Swamy, Tushar; Sheldon, Brian W.
  • Advanced Energy Materials, Vol. 7, Issue 20
  • DOI: 10.1002/aenm.201701003

Status and challenges in enabling the lithium metal electrode for high-energy and low-cost rechargeable batteries
journal, December 2017


Ultrathin Lithium-Ion Conducting Coatings for Increased Interfacial Stability in High Voltage Lithium-Ion Batteries
journal, May 2014

  • Park, Joong Sun; Meng, Xiangbo; Elam, Jeffrey W.
  • Chemistry of Materials, Vol. 26, Issue 10
  • DOI: 10.1021/cm500512n

Lithium battery chemistries enabled by solid-state electrolytes
journal, February 2017


Electrical characterization of amorphous LiAlO 2 thin films deposited by atomic layer deposition
journal, January 2016

  • Hu, Yang; Ruud, Amund; Miikkulainen, Ville
  • RSC Advances, Vol. 6, Issue 65
  • DOI: 10.1039/C6RA03137D

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis
journal, February 2013