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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:
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 = {2018},
month = {12}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1039/C8NR07609J

Citation Metrics:
Cited by: 3 works
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Works referenced in this record:

Optical spectra of alkali metal anion and ’’electride’’ films
journal, February 1978

  • Dye, James L.; Yemen, Michael R.; DaGue, Michael G.
  • The Journal of Chemical Physics, Vol. 68, Issue 4
  • DOI: 10.1063/1.435932

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

Two-Dimensional Transition-Metal Electride Y 2 C
journal, November 2014

  • Zhang, Xiao; Xiao, Zewen; Lei, Hechang
  • Chemistry of Materials, Vol. 26, Issue 22
  • DOI: 10.1021/cm503512h

Inorganic Electrides Formed by Alkali Metal Addition to Pure Silica Zeolites
journal, April 2003

  • Wernette, Daryl P.; Ichimura, Andrew S.; Urbin, Stephanie A.
  • Chemistry of Materials, Vol. 15, Issue 7
  • DOI: 10.1021/cm020906z

Li-rich antiperovskite superionic conductors based on cluster ions
journal, October 2017

  • Fang, Hong; Jena, Puru
  • Proceedings of the National Academy of Sciences, Vol. 114, Issue 42
  • DOI: 10.1073/pnas.1704086114

Electron Confinement in Channel Spaces for One-Dimensional Electride
journal, December 2015

  • Zhang, Yaoqing; Xiao, Zewen; Kamiya, Toshio
  • The Journal of Physical Chemistry Letters, Vol. 6, Issue 24
  • DOI: 10.1021/acs.jpclett.5b02283

First-Principles Prediction of New Electrides with Nontrivial Band Topology Based on One-Dimensional Building Blocks
journal, January 2018


DVM Xα calculations on the electronic structure of “superalkali” cations
journal, October 1982


Realization of Mott-insulating electrides in dimorphic Y b 5 S b 3
journal, September 2018


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


The scalable pinacol coupling reaction utilizing the inorganic electride [Ca 2 N] + ·e as an electron donor
journal, January 2014

  • Kim, Ye Ji; Kim, Sun Min; Hosono, Hideo
  • Chem. Commun., Vol. 50, Issue 37
  • DOI: 10.1039/C4CC00802B

Ammonia synthesis using a stable electride as an electron donor and reversible hydrogen store
journal, October 2012

  • Kitano, Masaaki; Inoue, Yasunori; Yamazaki, Youhei
  • Nature Chemistry, Vol. 4, Issue 11
  • DOI: 10.1038/nchem.1476

Calculating magnetic interactions in organic electrides
journal, June 2018


Activation and splitting of carbon dioxide on the surface of an inorganic electride material
journal, August 2013

  • Toda, Yoshitake; Hirayama, Hiroyuki; Kuganathan, Navaratnarajah
  • Nature Communications, Vol. 4, Issue 1
  • DOI: 10.1038/ncomms3378

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


Two dimensional inorganic electride-promoted electron transfer efficiency in transfer hydrogenation of alkynes and alkenes
journal, January 2015

  • Kim, Ye Ji; Kim, Sun Min; Cho, Eun Jin
  • Chemical Science, Vol. 6, Issue 6
  • DOI: 10.1039/C5SC00933B

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
journal, July 2013

  • Jain, Anubhav; Ong, Shyue Ping; Hautier, Geoffroy
  • APL Materials, Vol. 1, Issue 1
  • DOI: 10.1063/1.4812323

Low Threshold Voltage and Carrier Injection Properties of Inverted Organic Light-Emitting Diodes with [Ca 24 Al 28 O 64 ] 4+ (4e ) Cathode and Cu 2− x Se Anode
journal, September 2009

  • Yanagi, Hiroshi; Kim, Ki-Beom; Koizumi, Ikue
  • The Journal of Physical Chemistry C, Vol. 113, Issue 42
  • DOI: 10.1021/jp906386q

Surface chemistry of carbon dioxide
journal, January 1996


Light-induced conversion of an insulating refractory oxide into a persistent electronic conductor
journal, October 2002

  • Hayashi, Katsuro; Matsuishi, Satoru; Kamiya, Toshio
  • Nature, Vol. 419, Issue 6906
  • DOI: 10.1038/nature01053

First-Principles Prediction of Thermodynamically Stable Two-Dimensional Electrides
journal, November 2016

  • Ming, Wenmei; Yoon, Mina; Du, Mao-Hua
  • Journal of the American Chemical Society, Vol. 138, Issue 47
  • DOI: 10.1021/jacs.6b05586

Dicalcium nitride as a two-dimensional electride with an anionic electron layer
journal, January 2013

  • Lee, Kimoon; Kim, Sung Wng; Toda, Yoshitake
  • Nature, Vol. 494, Issue 7437
  • DOI: 10.1038/nature11812

Rational design of super-alkalis and their role in CO 2 activation
journal, January 2017

  • Zhao, Tianshan; Wang, Qian; Jena, Puru
  • Nanoscale, Vol. 9, Issue 15
  • DOI: 10.1039/C7NR00227K

High-Density Electron Anions in a Nanoporous Single Crystal: [Ca24Al28O64]4+(4e-)
journal, August 2003


The explicit examination of the magnetic states of electrides
journal, January 2016

  • Dale, Stephen G.; Johnson, Erin R.
  • Physical Chemistry Chemical Physics, Vol. 18, Issue 39
  • DOI: 10.1039/C6CP05345A

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

Ag–Ag dispersive interaction and physical properties of Ag 3 Co ( CN ) 6
journal, August 2014


Strong Localization of Anionic Electrons at Interlayer for Electrical and Magnetic Anisotropy in Two-Dimensional Y 2 C Electride
journal, January 2017

  • Park, Jongho; Lee, Kimoon; Lee, Seung Yong
  • Journal of the American Chemical Society, Vol. 139, Issue 2
  • DOI: 10.1021/jacs.6b11950

Secondary electron emission and glow discharge properties of 12CaO·7Al 2 O 3 electride for fluorescent lamp applications
journal, June 2011

  • Watanabe, Satoru; Watanabe, Toshinari; Ito, Kazuhiro
  • Science and Technology of Advanced Materials, Vol. 12, Issue 3
  • DOI: 10.1088/1468-6996/12/3/034410

Structural Diversity and Electron Confinement in Li 4 N: Potential for 0-D, 2-D, and 3-D Electrides
journal, October 2016

  • Tsuji, Yuta; Dasari, Prasad L. V. K.; Elatresh, S. F.
  • Journal of the American Chemical Society, Vol. 138, Issue 42
  • DOI: 10.1021/jacs.6b09067