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Title: Li 2 S growth on graphene: Impact on the electrochemical performance of Li-S batteries

Authors:
 [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Department of Chemical Engineering, Texas A&M University, College Station, Texas 77843, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1580782
Grant/Contract Number:  
EE0008210
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 152 Journal Issue: 1; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Longo, Roberto C., Camacho-Forero, Luis E., and Balbuena, Perla B. Li 2 S growth on graphene: Impact on the electrochemical performance of Li-S batteries. United States: N. p., 2020. Web. doi:10.1063/1.5135304.
Longo, Roberto C., Camacho-Forero, Luis E., & Balbuena, Perla B. Li 2 S growth on graphene: Impact on the electrochemical performance of Li-S batteries. United States. doi:10.1063/1.5135304.
Longo, Roberto C., Camacho-Forero, Luis E., and Balbuena, Perla B. Tue . "Li 2 S growth on graphene: Impact on the electrochemical performance of Li-S batteries". United States. doi:10.1063/1.5135304.
@article{osti_1580782,
title = {Li 2 S growth on graphene: Impact on the electrochemical performance of Li-S batteries},
author = {Longo, Roberto C. and Camacho-Forero, Luis E. and Balbuena, Perla B.},
abstractNote = {},
doi = {10.1063/1.5135304},
journal = {Journal of Chemical Physics},
number = 1,
volume = 152,
place = {United States},
year = {2020},
month = {1}
}

Journal Article:
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Works referenced in this record:

Adsorption of Single Li and the Formation of Small Li Clusters on Graphene for the Anode of Lithium-Ion Batteries
journal, July 2013

  • Fan, Xiaofeng; Zheng, W. T.; Kuo, Jer-Lai
  • ACS Applied Materials & Interfaces, Vol. 5, Issue 16
  • DOI: 10.1021/am401548c

Achievements of DFT for the Investigation of Graphene-Related Nanostructures
journal, October 2014

  • Botello-Méndez, Andrés R.; Dubois, Simon M. -M.; Lherbier, Aurélien
  • Accounts of Chemical Research, Vol. 47, Issue 11
  • DOI: 10.1021/ar500281v

Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery
journal, February 2010

  • Hummelshøj, J. S.; Blomqvist, J.; Datta, S.
  • The Journal of Chemical Physics, Vol. 132, Issue 7
  • DOI: 10.1063/1.3298994

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

First-principles study of the nano-scaling effect on the electrochemical behavior in LiNi 0.5 Mn 1.5 O 4
journal, September 2013


UNCLE: a code for constructing cluster expansions for arbitrary lattices with minimal user-input
journal, June 2009

  • Lerch, D.; Wieckhorst, O.; Hart, G. L. W.
  • Modelling and Simulation in Materials Science and Engineering, Vol. 17, Issue 5
  • DOI: 10.1088/0965-0393/17/5/055003

Carbon–sulfur composites for Li–S batteries: status and prospects
journal, January 2013

  • Wang, Da-Wei; Zeng, Qingcong; Zhou, Guangmin
  • Journal of Materials Chemistry A, Vol. 1, Issue 33
  • DOI: 10.1039/c3ta11045a

Effects of High and Low Salt Concentration in Electrolytes at Lithium–Metal Anode Surfaces
journal, December 2016

  • Camacho-Forero, Luis E.; Smith, Taylor W.; Balbuena, Perla B.
  • The Journal of Physical Chemistry C, Vol. 121, Issue 1
  • DOI: 10.1021/acs.jpcc.6b10774

Structural and Chemical Evolution of the Layered Li-Excess Li x MnO 3 as a Function of Li Content from First-Principles Calculations
journal, June 2014


Ternary Hybrid Material for High-Performance Lithium–Sulfur Battery
journal, September 2015

  • Fan, Qi; Liu, Wen; Weng, Zhe
  • Journal of the American Chemical Society, Vol. 137, Issue 40
  • DOI: 10.1021/jacs.5b07071

A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000

  • Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes
  • The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
  • DOI: 10.1063/1.1329672

Non-Transition-Metal Catalytic System for N 2 Reduction to NH 3 : A Density Functional Theory Study of Al-Doped Graphene
journal, January 2018

  • Tian, Yong-Hui; Hu, Shuangli; Sheng, Xiaolan
  • The Journal of Physical Chemistry Letters, Vol. 9, Issue 3
  • DOI: 10.1021/acs.jpclett.7b03094

Non-encapsulation approach for high-performance Li–S batteries through controlled nucleation and growth
journal, September 2017


Vapor-Phase Atomic-Controllable Growth of Amorphous Li 2 S for High-Performance Lithium–Sulfur Batteries
journal, October 2014

  • Meng, Xiangbo; Comstock, David J.; Fister, Timothy T.
  • ACS Nano, Vol. 8, Issue 10
  • DOI: 10.1021/nn505480w

The Use of Redox Mediators for Enhancing Utilization of Li 2 S Cathodes for Advanced Li–S Battery Systems
journal, February 2014

  • Meini, Stefano; Elazari, Ran; Rosenman, Ariel
  • The Journal of Physical Chemistry Letters, Vol. 5, Issue 5
  • DOI: 10.1021/jz500222f

Ultrasound Assisted Design of Sulfur/Carbon Cathodes with Partially Fluorinated Ether Electrolytes for Highly Efficient Li/S Batteries
journal, January 2013


A Soft Approach to Encapsulate Sulfur: Polyaniline Nanotubes for Lithium-Sulfur Batteries with Long Cycle Life
journal, January 2012

  • Xiao, Lifen; Cao, Yuliang; Xiao, Jie
  • Advanced Materials, Vol. 24, Issue 9, p. 1176-1181
  • DOI: 10.1002/adma.201103392

On the Surface Chemical Aspects of Very High Energy Density, Rechargeable Li–Sulfur Batteries
journal, January 2009

  • Aurbach, Doron; Pollak, Elad; Elazari, Ran
  • Journal of The Electrochemical Society, Vol. 156, Issue 8, p. A694-A702
  • DOI: 10.1149/1.3148721

Polysulfide Shuttle Study in the Li/S Battery System
journal, January 2004

  • Mikhaylik, Yuriy V.; Akridge, James R.
  • Journal of The Electrochemical Society, Vol. 151, Issue 11, p. A1969-A1976
  • DOI: 10.1149/1.1806394

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

Tunable plasmons in few-layer nitrogen-doped graphene nanostructures: A time-dependent density functional theory study
journal, May 2016


The synergetic effect of lithium polysulfide and lithium nitrate to prevent lithium dendrite growth
journal, June 2015

  • Li, Weiyang; Yao, Hongbin; Yan, Kai
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms8436

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


Lithium-Sulfur Batteries: Progress and Prospects
journal, February 2015

  • Manthiram, Arumugam; Chung, Sheng-Heng; Zu, Chenxi
  • Advanced Materials, Vol. 27, Issue 12
  • DOI: 10.1002/adma.201405115

Electrode–Electrolyte Interfaces in Lithium–Sulfur Batteries with Liquid or Inorganic Solid Electrolytes
journal, October 2017


Surface-enhanced redox chemistry of polysulphides on a metallic and polar host for lithium-sulphur batteries
journal, August 2014

  • Pang, Quan; Kundu, Dipan; Cuisinier, Marine
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms5759

High-Temperature Formation of a Functional Film at the Cathode/Electrolyte Interface in Lithium-Sulfur Batteries: An In Situ AFM Study
journal, October 2017

  • Lang, Shuang-Yan; Shi, Yang; Guo, Yu-Guo
  • Angewandte Chemie International Edition, Vol. 56, Issue 46
  • DOI: 10.1002/anie.201706979

Electric Field Effect in Atomically Thin Carbon Films
journal, October 2004


Sulphur–TiO2 yolk–shell nanoarchitecture with internal void space for long-cycle lithium–sulphur batteries
journal, January 2013

  • Wei Seh, Zhi; Li, Weiyang; Cha, Judy J.
  • Nature Communications, Vol. 4, Article No. 1331
  • DOI: 10.1038/ncomms2327

Ultrasmall Li2S Nanoparticles Anchored in Graphene Nanosheets for High-Energy Lithium-Ion Batteries
journal, September 2014

  • Zhang, Kai; Wang, Lijiang; Hu, Zhe
  • Scientific Reports, Vol. 4, Issue 1
  • DOI: 10.1038/srep06467

Theoretical Demonstration of the Ionic Barristor
journal, February 2016


A Graphene-Pure-Sulfur Sandwich Structure for Ultrafast, Long-Life Lithium-Sulfur Batteries
journal, November 2013


Advanced Sulfur Cathode Enabled by Highly Crumpled Nitrogen-Doped Graphene Sheets for High-Energy-Density Lithium–Sulfur Batteries
journal, January 2016


Hollow Carbon Nanofiber-Encapsulated Sulfur Cathodes for High Specific Capacity Rechargeable Lithium Batteries
journal, October 2011

  • Zheng, Guangyuan; Yang, Yuan; Cha, Judy J.
  • Nano Letters, Vol. 11, Issue 10, p. 4462-4467
  • DOI: 10.1021/nl2027684

Core–Shell Nanocomposites for Improving the Structural Stability of Li-Rich Layered Oxide Cathode Materials for Li-Ion Batteries
journal, May 2018

  • Longo, Roberto C.; Liang, Chaoping; Kong, Fantai
  • ACS Applied Materials & Interfaces, Vol. 10, Issue 22
  • DOI: 10.1021/acsami.8b03898

High-Capacity Micrometer-Sized Li2 S Particles as Cathode Materials for Advanced Rechargeable Lithium-Ion Batteries
journal, September 2012

  • Yang, Yuan; Zheng, Guangyuan; Misra, Sumohan
  • Journal of the American Chemical Society, Vol. 134, Issue 37, p. 15387-15394
  • DOI: 10.1021/ja3052206

Interfacial Mechanism in Lithium–Sulfur Batteries: How Salts Mediate the Structure Evolution and Dynamics
journal, June 2018

  • Lang, Shuang-Yan; Xiao, Rui-Juan; Gu, Lin
  • Journal of the American Chemical Society, Vol. 140, Issue 26
  • DOI: 10.1021/jacs.8b02057

Insight into the Interfacial Process and Mechanism in Lithium-Sulfur Batteries: An In Situ AFM Study
journal, November 2016

  • Lang, Shuang-Yan; Shi, Yang; Guo, Yu-Guo
  • Angewandte Chemie International Edition, Vol. 55, Issue 51
  • DOI: 10.1002/anie.201608730

Unusual infrared-absorption mechanism in thermally reduced graphene oxide
journal, September 2010

  • Acik, M.; Lee, G.; Mattevi, C.
  • Nature Materials, Vol. 9, Issue 10
  • DOI: 10.1038/nmat2858

Finite temperature effects on the X-ray absorption spectra of lithium compounds: First-principles interpretation of X-ray Raman measurements
journal, January 2014

  • Pascal, Tod A.; Boesenberg, Ulrike; Kostecki, Robert
  • The Journal of Chemical Physics, Vol. 140, Issue 3
  • DOI: 10.1063/1.4856835

Hydrogen Adsorption of Mg-Doped Graphene Oxide: A First-Principles Study
journal, February 2013

  • Chen, Chu; Zhang, Jun; Zhang, Bei
  • The Journal of Physical Chemistry C, Vol. 117, Issue 9
  • DOI: 10.1021/jp308271b

Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
journal, December 2000

  • Henkelman, Graeme; Jónsson, Hannes
  • The Journal of Chemical Physics, Vol. 113, Issue 22
  • DOI: 10.1063/1.1323224

Li–O2 and Li–S batteries with high energy storage
journal, January 2012

  • Bruce, Peter G.; Freunberger, Stefan A.; Hardwick, Laurence J.
  • Nature Materials, Vol. 11, Issue 1, p. 19-29
  • DOI: 10.1038/nmat3191

A review of electrolytes for lithium–sulphur batteries
journal, June 2014


Ab initio study of 3 d , 4 d , and 5 d transition metal adatoms and dimers adsorbed on hydrogen-passivated zigzag graphene nanoribbons
journal, June 2011


A highly ordered nanostructured carbon–sulphur cathode for lithium–sulphur batteries
journal, May 2009

  • Ji, Xiulei; Lee, Kyu Tae; Nazar, Linda F.
  • Nature Materials, Vol. 8, Issue 6, p. 500-506
  • DOI: 10.1038/nmat2460

First-Principles Studies of Li Nucleation on Graphene
journal, March 2014

  • Liu, Mingjie; Kutana, Alex; Liu, Yuanyue
  • The Journal of Physical Chemistry Letters, Vol. 5, Issue 7
  • DOI: 10.1021/jz500199d

Stable lithium electrodeposition in liquid and nanoporous solid electrolytes
journal, August 2014

  • Lu, Yingying; Tu, Zhengyuan; Archer, Lynden A.
  • Nature Materials, Vol. 13, Issue 10
  • DOI: 10.1038/nmat4041