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

This content will become publicly available on February 11, 2020

Title: Tetragonal C 24 : a topological nodal-surface semimetal with potential as an anode material for sodium ion batteries

Abstract

The first topological quantum carbon structure for Na ion battery anode with high capacity and stability.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]
  1. Department of Materials Science and Engineering, Peking University, Beijing 100871, China
  2. Department of Materials Science and Engineering, Peking University, Beijing 100871, China, Center for Applied Physics and Technology
  3. Department of Physics, Virginia Commonwealth University, Richmond, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1495253
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: 7 Journal Issue: 10; Journal ID: ISSN 2050-7488
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Qie, Yu, Liu, Junyi, Wang, Shuo, Sun, Qiang, and Jena, Puru. Tetragonal C 24 : a topological nodal-surface semimetal with potential as an anode material for sodium ion batteries. United Kingdom: N. p., 2019. Web. doi:10.1039/C8TA11276B.
Qie, Yu, Liu, Junyi, Wang, Shuo, Sun, Qiang, & Jena, Puru. Tetragonal C 24 : a topological nodal-surface semimetal with potential as an anode material for sodium ion batteries. United Kingdom. doi:10.1039/C8TA11276B.
Qie, Yu, Liu, Junyi, Wang, Shuo, Sun, Qiang, and Jena, Puru. Tue . "Tetragonal C 24 : a topological nodal-surface semimetal with potential as an anode material for sodium ion batteries". United Kingdom. doi:10.1039/C8TA11276B.
@article{osti_1495253,
title = {Tetragonal C 24 : a topological nodal-surface semimetal with potential as an anode material for sodium ion batteries},
author = {Qie, Yu and Liu, Junyi and Wang, Shuo and Sun, Qiang and Jena, Puru},
abstractNote = {The first topological quantum carbon structure for Na ion battery anode with high capacity and stability.},
doi = {10.1039/C8TA11276B},
journal = {Journal of Materials Chemistry A},
number = 10,
volume = 7,
place = {United Kingdom},
year = {2019},
month = {3}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on February 11, 2020
Publisher's Version of Record

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

Efficient hybrid density functional calculations in solids: Assessment of the Heyd�Scuseria�Ernzerhof screened Coulomb hybrid functional
journal, July 2004

  • Heyd, Jochen; Scuseria, Gustavo E.
  • The Journal of Chemical Physics, Vol. 121, Issue 3, p. 1187-1192
  • DOI: 10.1063/1.1760074

Projector augmented-wave method
journal, December 1994


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

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


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

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

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

Electrode Materials for Rechargeable Sodium-Ion Batteries: Potential Alternatives to Current Lithium-Ion Batteries
journal, May 2012

  • Kim, Sung-Wook; Seo, Dong-Hwa; Ma, Xiaohua
  • Advanced Energy Materials, Vol. 2, Issue 7, p. 710-721
  • DOI: 10.1002/aenm.201200026