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

Title: A new 3D Dirac nodal-line semi-metallic graphene monolith for lithium ion battery anode materials

Abstract

Design of a new 3D Dirac nodal-line semi-metallic graphene monolith with potential for a high performance lithium ion battery anode material.

Authors:
ORCiD logo [1];  [1]; ORCiD logo [1];  [2];  [3]
  1. Center for Applied Physics and Technology, Department of Materials Science and Engineering, HEDPS, BKL-MEMD, College of Engineering
  2. New Industry Creation Hatchery Center, Tohoku University, Sendai, Japan
  3. Department of Physics, Virginia Commonwealth University, Richmond, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1457796
Grant/Contract Number:  
FG02-96ER45579
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: 28; Journal ID: ISSN 2050-7488
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Liu, Jie, Li, Xiaoyin, Wang, Qian, Kawazoe, Yoshiyuki, and Jena, Puru. A new 3D Dirac nodal-line semi-metallic graphene monolith for lithium ion battery anode materials. United Kingdom: N. p., 2018. Web. doi:10.1039/C8TA04428G.
Liu, Jie, Li, Xiaoyin, Wang, Qian, Kawazoe, Yoshiyuki, & Jena, Puru. A new 3D Dirac nodal-line semi-metallic graphene monolith for lithium ion battery anode materials. United Kingdom. doi:10.1039/C8TA04428G.
Liu, Jie, Li, Xiaoyin, Wang, Qian, Kawazoe, Yoshiyuki, and Jena, Puru. Mon . "A new 3D Dirac nodal-line semi-metallic graphene monolith for lithium ion battery anode materials". United Kingdom. doi:10.1039/C8TA04428G.
@article{osti_1457796,
title = {A new 3D Dirac nodal-line semi-metallic graphene monolith for lithium ion battery anode materials},
author = {Liu, Jie and Li, Xiaoyin and Wang, Qian and Kawazoe, Yoshiyuki and Jena, Puru},
abstractNote = {Design of a new 3D Dirac nodal-line semi-metallic graphene monolith with potential for a high performance lithium ion battery anode material.},
doi = {10.1039/C8TA04428G},
journal = {Journal of Materials Chemistry A},
number = 28,
volume = 6,
place = {United Kingdom},
year = {2018},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1039/C8TA04428G

Citation Metrics:
Cited by: 3 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Energetics of lithium ion adsorption on defective carbon nanotubes
journal, June 2005


Li Absorption and Intercalation in Single Layer Graphene and Few Layer Graphene by First Principles
journal, January 2012

  • Lee, Eunseok; Persson, Kristin A.
  • Nano Letters, Vol. 12, Issue 9
  • DOI: 10.1021/nl3019164

Projector augmented-wave method
journal, December 1994


Hybrid functionals based on a screened Coulomb potential
journal, May 2003

  • Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
  • The Journal of Chemical Physics, Vol. 118, Issue 18
  • DOI: 10.1063/1.1564060

Nanostructures and lithium electrochemical reactivity of lithium titanites and titanium oxides: A review
journal, July 2009


Recent developments in nanostructured anode materials for rechargeable lithium-ion batteries
journal, January 2011

  • Ji, Liwen; Lin, Zhan; Alcoutlabi, Mataz
  • Energy & Environmental Science, Vol. 4, Issue 8, p. 2682-2699
  • DOI: 10.1039/c0ee00699h

New Horizons for Conventional Lithium Ion Battery Technology
journal, September 2014

  • Erickson, Evan M.; Ghanty, Chandan; Aurbach, Doron
  • The Journal of Physical Chemistry Letters, Vol. 5, Issue 19
  • DOI: 10.1021/jz501387m

Ultrafast and Directional Diffusion of Lithium in Phosphorene for High-Performance Lithium-Ion Battery
journal, February 2015

  • Li, Weifeng; Yang, Yanmei; Zhang, Gang
  • Nano Letters, Vol. 15, Issue 3
  • DOI: 10.1021/nl504336h

Small rings and amorphous tetrahedral carbon
journal, January 1999


Enhancing the performances of Li-ion batteries by carbon-coating: present and future
journal, January 2012


Porous carbon spheres and monoliths: morphology control, pore size tuning and their applications as Li-ion battery anode materials
journal, January 2014

  • Roberts, Aled D.; Li, Xu; Zhang, Haifei
  • Chem. Soc. Rev., Vol. 43, Issue 13
  • DOI: 10.1039/C4CS00071D

Three Dimensional Carbon-Nanotube Polymers
journal, August 2011

  • Zhao, Zhisheng; Xu, Bo; Wang, Li-Min
  • ACS Nano, Vol. 5, Issue 9
  • DOI: 10.1021/nn202053t

Charge carriers in rechargeable batteries: Na ions vs. Li ions
journal, January 2013

  • Hong, Sung You; Kim, Youngjin; Park, Yuwon
  • Energy & Environmental Science, Vol. 6, Issue 7
  • DOI: 10.1039/c3ee40811f

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

Electron and phonon properties and gas storage in carbon honeycombs
journal, January 2016

  • Gao, Yan; Chen, Yuanping; Zhong, Chengyong
  • Nanoscale, Vol. 8, Issue 26
  • DOI: 10.1039/C6NR03655D

An extended defect in graphene as a metallic wire
journal, March 2010

  • Lahiri, Jayeeta; Lin, You; Bozkurt, Pinar
  • Nature Nanotechnology, Vol. 5, Issue 5
  • DOI: 10.1038/nnano.2010.53

Dirac Line Nodes in Inversion-Symmetric Crystals
journal, July 2015


A unified formulation of the constant temperature molecular dynamics methods
journal, July 1984

  • Nosé, Shuichi
  • The Journal of Chemical Physics, Vol. 81, Issue 1
  • DOI: 10.1063/1.447334

Bottom-up Design of Three-Dimensional Carbon-Honeycomb with Superb Specific Strength and High Thermal Conductivity
journal, December 2016


Topological Node-Line Semimetal and Dirac Semimetal State in Antiperovskite Cu 3 PdN
journal, July 2015


A new metallic carbon allotrope with high stability and potential for lithium ion battery anode material
journal, August 2017


Carbon foam: Spanning the phase space between graphite and diamond
journal, October 2001


Porous carbon sphere anodes for enhanced lithium-ion storage
journal, January 2015

  • Etacheri, Vinodkumar; Wang, Chengwei; O'Connell, Michael J.
  • Journal of Materials Chemistry A, Vol. 3, Issue 18
  • DOI: 10.1039/C5TA01360G

Stable three-dimensional metallic carbon with interlocking hexagons
journal, November 2013

  • Zhang, S.; Wang, Q.; Chen, X.
  • Proceedings of the National Academy of Sciences, Vol. 110, Issue 47
  • DOI: 10.1073/pnas.1311028110

Metallic VS 2 Monolayer: A Promising 2D Anode Material for Lithium Ion Batteries
journal, November 2013

  • Jing, Yu; Zhou, Zhen; Cabrera, Carlos R.
  • The Journal of Physical Chemistry C, Vol. 117, Issue 48
  • DOI: 10.1021/jp410969u

Topologically Protected Conduction State at Carbon Foam Surfaces: An Ab initio Study
journal, January 2014


Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Dirac Node Lines in Pure Alkali Earth Metals
journal, August 2016


3,4-Connected carbon nets: through-space and through-bond interactions in the solid state
journal, October 1987

  • Merz, Kenneth M.; Hoffmann, Roald; Balaban, Alexandru T.
  • Journal of the American Chemical Society, Vol. 109, Issue 22
  • DOI: 10.1021/ja00256a031

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


Review on recent progress of nanostructured anode materials for Li-ion batteries
journal, July 2014


Topological relations between three-periodic nets. II. Binodal nets
journal, April 2009

  • Blatov, Vladislav A.; Proserpio, Davide M.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 65, Issue 3
  • DOI: 10.1107/S0108767309006096

Three Strongly Coupled Allotropes in a Functionalized Porous All-Carbon Nanocomposite as a Superior Anode for Lithium-Ion Batteries
journal, February 2016


Hierarchical Porous Nitrogen-Doped Carbon Nanosheets Derived from Silk for Ultrahigh-Capacity Battery Anodes and Supercapacitors
journal, February 2015

  • Hou, Jianhua; Cao, Chuanbao; Idrees, Faryal
  • ACS Nano, Vol. 9, Issue 3
  • DOI: 10.1021/nn506394r

Body-Centered Tetragonal C 4 : A Viable s p 3 Carbon Allotrope
journal, March 2010


Ab initio study of lithium intercalation in metal oxides and metal dichalcogenides
journal, July 1997


A Hypothetical Dense 3,4-Connected Carbon Net and Related B2C and CN2 Nets Built from 1,4-Cyclohexadienoid Units
journal, December 1994

  • Bucknum, Michael J.; Hoffmann, Roald
  • Journal of the American Chemical Society, Vol. 116, Issue 25
  • DOI: 10.1021/ja00104a027

Body-Centered Orthorhombic C 16 : A Novel Topological Node-Line Semimetal
journal, May 2016


Template-Directed Materials for Rechargeable Lithium-Ion Batteries
journal, February 2008

  • Cheng, Fangyi; Tao, Zhanliang; Liang, Jing
  • Chemistry of Materials, Vol. 20, Issue 3
  • DOI: 10.1021/cm702091q

Semiempirical GGA-type density functional constructed with a long-range dispersion correction
journal, January 2006

  • Grimme, Stefan
  • Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799
  • DOI: 10.1002/jcc.20495

Superhard Cubic B C 2 N Compared to Diamond
journal, November 2004


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

Tunable Assembly of sp 3 Cross-Linked 3D Graphene Monoliths: A First-Principles Prediction
journal, June 2013

  • Jiang, Xue; Zhao, Jijun; Li, Yan-Ling
  • Advanced Functional Materials, Vol. 23, Issue 47
  • DOI: 10.1002/adfm.201301077

First-principles calculations of the ferroelastic transition between rutile-type and CaCl 2 -type SiO 2 at high pressures
journal, October 2008


Carbon three-dimensional architecture formed by intersectional collision of graphene patches
journal, July 2005


Carbon Honeycomb High Capacity Storage for Gaseous and Liquid Species
journal, February 2016


Nanostructured Carbon Allotropes with Weyl-like Loops and Points
journal, September 2015


Electron Conductive Three-Dimensional Polymer of Cuboidal C 60
journal, February 2006


Templated Synthesis of Carbon Materials from Zeolites (Y, Beta, and ZSM-5) and a Montmorillonite Clay (K10):  Physical and Electrochemical Characterization
journal, March 2001

  • Meyers, Curtis J.; Shah, Simit D.; Patel, Sejal C.
  • The Journal of Physical Chemistry B, Vol. 105, Issue 11
  • DOI: 10.1021/jp0029663

Lithium Diffusion in Graphitic Carbon
journal, March 2010

  • Persson, Kristin; Sethuraman, Vijay A.; Hardwick, Laurence J.
  • The Journal of Physical Chemistry Letters, Vol. 1, Issue 8
  • DOI: 10.1021/jz100188d

High-pressure-assisted design of porous topological semimetal carbon for Li-ion battery anode with high-rate performance
journal, February 2018


Mo 2 C as a high capacity anode material: a first-principles study
journal, January 2016

  • Çakır, Deniz; Sevik, Cem; Gülseren, Oğuz
  • Journal of Materials Chemistry A, Vol. 4, Issue 16
  • DOI: 10.1039/C6TA01918H