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

Title: Super-alkalis as building blocks of one-dimensional hierarchical electrides

Abstract

Cluster as the building block of electrides that are ionic compounds with localized electrons acting as anions.

Authors:
ORCiD logo [1];  [2];  [1]
  1. Department of Physics, Virginia Commonwealth University, Richmond, USA
  2. Center for Advancing Materials Performance from the Nanoscale, State Key Laboratory for Mechanical Behavior of Materials, Xi'an Jiaotong University, Xi'an, China
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1484055
Grant/Contract Number:  
FG02-96ER45579; AC02-05CH11231
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Nanoscale
Additional Journal Information:
Journal Name: Nanoscale Journal Volume: 10 Journal Issue: 48; Journal ID: ISSN 2040-3364
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Fang, Hong, Zhou, Jian, and Jena, Puru. Super-alkalis as building blocks of one-dimensional hierarchical electrides. United Kingdom: N. p., 2018. Web. doi:10.1039/C8NR07609J.
Fang, Hong, Zhou, Jian, & Jena, Puru. Super-alkalis as building blocks of one-dimensional hierarchical electrides. United Kingdom. doi:10.1039/C8NR07609J.
Fang, Hong, Zhou, Jian, and Jena, Puru. Thu . "Super-alkalis as building blocks of one-dimensional hierarchical electrides". United Kingdom. doi:10.1039/C8NR07609J.
@article{osti_1484055,
title = {Super-alkalis as building blocks of one-dimensional hierarchical electrides},
author = {Fang, Hong and Zhou, Jian and Jena, Puru},
abstractNote = {Cluster as the building block of electrides that are ionic compounds with localized electrons acting as anions.},
doi = {10.1039/C8NR07609J},
journal = {Nanoscale},
number = 48,
volume = 10,
place = {United Kingdom},
year = {Thu Dec 13 00:00:00 EST 2018},
month = {Thu Dec 13 00:00:00 EST 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on November 26, 2019
Publisher's Accepted Manuscript

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

Density?functional thermochemistry. III. The role of exact exchange
journal, April 1993

  • Becke, Axel D.
  • The Journal of Chemical Physics, Vol. 98, Issue 7, p. 5648-5652
  • DOI: 10.1063/1.464913

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


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