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

Title: First-principles explorations of the electrochemical lithiation dynamics of a multilayer graphene nanosheet-based sulfur–carbon composite

Journal Article · · Journal of Materials Chemistry. A
DOI:https://doi.org/10.1039/C8TA04375B· OSTI ID:1469717

Graphitized-polymer-based sulfur cathodes have emerged as alternative cathode materials that are able to overcome many of the technical challenges that currently hinder lithium–sulfur (Li–S) batteries from their use in long-term high-energy applications.

Sponsoring Organization:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Office of Sustainable Transportation. Vehicle Technologies Office (VTO)
Grant/Contract Number:
EE-0008210; EE0006832
OSTI ID:
1469717
Journal Information:
Journal of Materials Chemistry. A, Journal Name: Journal of Materials Chemistry. A Vol. 6 Journal Issue: 37; ISSN 2050-7488
Publisher:
Royal Society of Chemistry (RSC)Copyright Statement
Country of Publication:
United Kingdom
Language:
English
Citation Metrics:
Cited by: 8 works
Citation information provided by
Web of Science

References (43)

Molecular structure and stability of dissolved lithium polysulfide species journal January 2014
Metal–Sulfur Battery Cathodes Based on PAN–Sulfur Composites journal September 2015
Facile synthesis of a interleaved expanded graphite-embedded sulphur nanocomposite as cathode of Li–S batteries with excellent lithium storage performance journal January 2012
A quantum-chemical study on the discharge reaction mechanism of lithium-sulfur batteries journal January 2013
Encapsulated Monoclinic Sulfur for Stable Cycling of Li-S Rechargeable Batteries journal September 2013
Polydopamine-Coated, Nitrogen-Doped, Hollow Carbon–Sulfur Double-Layered Core–Shell Structure for Improving Lithium–Sulfur Batteries journal August 2014
Structure-Related Electrochemistry of Sulfur-Poly(acrylonitrile) Composite Cathode Materials for Rechargeable Lithium Batteries journal November 2011
Formation of Multilayer Graphene Domains with Strong Sulfur–Carbon Interaction and Enhanced Sulfur Reduction Zones for Lithium–Sulfur Battery Cathodes journal March 2018
Sulphur–TiO2 yolk–shell nanoarchitecture with internal void space for long-cycle lithium–sulphur batteries journal January 2013
Differences in Electrochemistry between Fibrous SPAN and Fibrous S/C Cathodes Relevant to Cycle Stability and Capacity journal June 2017
Graphene-based nanocomposites for energy storage and conversion in lithium batteries, supercapacitors and fuel cells journal January 2014
A density-functional model of the dispersion interaction journal October 2005
Three-dimensional flexible and conductive interconnected graphene networks grown by chemical vapour deposition journal April 2011
Expanded graphite as superior anode for sodium-ion batteries journal June 2014
A High Energy Lithium-Sulfur Battery with Ultrahigh-Loading Lithium Polysulfide Cathode and its Failure Mechanism journal February 2016
Hybrid Li/S Battery Based on Dimethyl Trisulfide and Sulfurized Poly(acrylonitrile) journal December 2017
First-Principles Study of Redox End Members in Lithium–Sulfur Batteries journal February 2015
Nanostructured sulfur cathodes journal January 2013
Understanding the anchoring effect of Graphene, BN, C2N and C3N4 monolayers for lithium−polysulfides in Li−S batteries journal March 2018
Expandable-graphite-derived graphene for next-generation battery chemistries journal June 2015
More Reliable Lithium-Sulfur Batteries: Status, Solutions and Prospects journal April 2017
Polyacrylonitrile/graphene composite as a precursor to a sulfur-based cathode material for high-rate rechargeable Li–S batteries journal January 2012
Peculiar Localized State at Zigzag Graphite Edge journal July 1996
Nanostructured titanium nitride as a novel cathode for high performance lithium/dissolved polysulfide batteries journal July 2016
Liquid electrolyte lithium/sulfur battery: Fundamental chemistry, problems, and solutions journal June 2013
Modelling of Three-Dimensional Nanographene journal March 2016
Rechargeable Lithium–Sulfur Batteries journal July 2014
Room-temperature magnetic order on zigzag edges of narrow graphene nanoribbons journal October 2014
Understanding the role of lithium sulfide clusters in lithium–sulfur batteries journal January 2017
Smaller Sulfur Molecules Promise Better Lithium–Sulfur Batteries journal October 2012
A Review on Li-S Batteries as a High Efficiency Rechargeable Lithium Battery journal January 2013
Electrical conductivity of synergistically hybridized nanocomposites based on graphite nanoplatelets and carbon nanotubes journal September 2012
Processing of nanographene platelets (NGPs) and NGP nanocomposites: a review journal August 2008
Honeycomb Carbon: A Review of Graphene journal January 2010
Non-encapsulation approach for high-performance Li–S batteries through controlled nucleation and growth journal September 2017
A new insight into the lithium storage mechanism of sulfurized polyacrylonitrile with no soluble intermediates journal September 2018
Revealing reaction mechanisms of nanoconfined Li 2 S: implications for lithium–sulfur batteries journal January 2018
First-Principles Investigation of Lithium Polysulfide Structure and Behavior in Solution journal September 2017
Towards Next Generation Lithium-Sulfur Batteries: Non-Conventional Carbon Compartments/Sulfur Electrodes and Multi-Scale Analysis journal January 2016
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu journal April 2010
Effective strategies for stabilizing sulfur for advanced lithium–sulfur batteries journal January 2017
Ab initio calculation of the lithium-tin voltage profile journal December 1998
The mechanics and design of a lightweight three-dimensional graphene assembly journal January 2017