Revealing the electronic structure of LiC6 by soft X-ray spectroscopy

Zhang, L.; Li, X.; Augustsson, A.; Lee, C. M.; Rubensson, J. -E.; Nordgren, J.; Ross, P. N.; Guo, J. -H.

doi:10.1063/1.4978432

Title: Revealing the electronic structure of LiC₆ by soft X-ray spectroscopy

Abstract

The electronic structure of LiC₆ has been investigated in this paper by soft X-ray absorption and emission spectroscopies. The results reveal that upon full lithiation of graphite, the Li 2s electrons are transferred into the carbon π* states in a near rigid-band behavior, resulting in the increased density of states near E_F and the shift of σ* states to lower energies. Finally, in addition, the resonant inelastic X-ray scattering spectra of LiC₆ do not show strong dispersive features as that of graphite, indicating that the crystal momentum is not conserved during the scattering process due to the delocalization of electrons in the intermediate state.

Authors:

Zhang, L. ^[1]; Li, X. ^[2]; Augustsson, A. ^[3]; Lee, C. M. ^[1]; Rubensson, J. -E. ^[3]; Nordgren, J. ^[3]; Ross, P. N. ^[1];

^[4]

Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Univ. of Science and Technology of China, Hefei (China)
Uppsala Univ. (Sweden)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Univ. of California, Santa Cruz, CA (United States)

Publication Date:: Thu Mar 09 00:00:00 EST 2017

Research Org.:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1379763

Alternate Identifier(s):: OSTI ID: 1349379

Grant/Contract Number:: AC02-05CH11231

Resource Type:: Accepted Manuscript

Journal Name:: Applied Physics Letters

Additional Journal Information:: Journal Volume: 110; Journal Issue: 10; Journal ID: ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; graphite; x-ray absorption spectroscopy; band structure; emission spectra; carbon

Citation Formats


                    Zhang, L., Li, X., Augustsson, A., Lee, C. M., Rubensson, J. -E., Nordgren, J., Ross, P. N., and Guo, J. -H. Revealing the electronic structure of LiC6 by soft X-ray spectroscopy.  United States: N. p., 2017. 
Web.  doi:10.1063/1.4978432.

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                    Zhang, L., Li, X., Augustsson, A., Lee, C. M., Rubensson, J. -E., Nordgren, J., Ross, P. N., & Guo, J. -H. Revealing the electronic structure of LiC6 by soft X-ray spectroscopy.  United States.  https://doi.org/10.1063/1.4978432

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                    Zhang, L., Li, X., Augustsson, A., Lee, C. M., Rubensson, J. -E., Nordgren, J., Ross, P. N., and Guo, J. -H. Thu .  
"Revealing the electronic structure of LiC6 by soft X-ray spectroscopy".  United States.  https://doi.org/10.1063/1.4978432.  https://www.osti.gov/servlets/purl/1379763.

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@article{osti_1379763,

  title        = {Revealing the electronic structure of LiC6 by soft X-ray spectroscopy},

  author       = {Zhang, L. and Li, X. and Augustsson, A. and Lee, C. M. and Rubensson, J. -E. and Nordgren, J. and Ross, P. N. and Guo, J. -H.},

  abstractNote = {The electronic structure of LiC6 has been investigated in this paper by soft X-ray absorption and emission spectroscopies. The results reveal that upon full lithiation of graphite, the Li 2s electrons are transferred into the carbon π* states in a near rigid-band behavior, resulting in the increased density of states near EF and the shift of σ* states to lower energies. Finally, in addition, the resonant inelastic X-ray scattering spectra of LiC6 do not show strong dispersive features as that of graphite, indicating that the crystal momentum is not conserved during the scattering process due to the delocalization of electrons in the intermediate state.},

  doi          = {10.1063/1.4978432},

  journal      = {Applied Physics Letters},

  number       = 10,

  volume       = 110,

  place        = {United States},

  year         = {Thu Mar 09 00:00:00 EST 2017},

  month        = {Thu Mar 09 00:00:00 EST 2017}

}

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Works referencing / citing this record:

NEXAFS spectroscopy study of lithium interaction with nitrogen incorporated in porous graphitic material
journal, May 2019

Lapteva, L. L.; Fedoseeva, Yu. V.; Shlyakhova, E. V.
Journal of Materials Science, Vol. 54, Issue 16
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Long-run in operando NMR to investigate the evolution and degradation of battery cells
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Charge polarization in partially lithiated single-walled carbon nanotubes
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Title: Revealing the electronic structure of LiC6 by soft X-ray spectroscopy

Abstract

Citation Formats

Evidence for Interlayer Band Shifts upon Lithium Intercalation in Graphite from Inelastic X-Ray Scattering journal, May 1988

Core excitons and vibronic coupling in diamond and graphite journal, November 1993

Issues and challenges facing rechargeable lithium batteries journal, November 2001

NEXAFS Spectroscopy book, January 1992

Fine structure and chemical shifts in nonresonant inelastic x-ray scattering from Li-intercalated graphite journal, July 2007

Insertion Electrode Materials for Rechargeable Lithium Batteries journal, July 1998

The Chemical Reaction of Diethyl Carbonate with Lithium Intercalated Graphite Studied by X-Ray Photoelectron Spectroscopy journal, January 2002

π * and σ * Excitons in C 1 s Absorption of Graphite journal, January 1995

Soft X-ray Absorption and Emission Spectroscopic Investigation of Carbon and Carbon:Transition Metal Composite Films journal, October 2008

Theoretical study of lithium graphite. I. Band structure, density of states, and Fermi-surface properties journal, November 1978

Quantum Confinement Effect in Diamond Nanocrystals Studied by X-Ray-Absorption Spectroscopy journal, June 1999

Lithium batteries: Status, prospects and future journal, May 2010

Structural diversity in lithium carbides journal, December 2015

Electronic Structure of Superconducting KC 8 and Nonsuperconducting LiC 6 Graphite Intercalation Compounds: Evidence for a Graphene-Sheet-Driven Superconducting State journal, May 2011

Towards greener and more sustainable batteries for electrical energy storage journal, November 2014

Electronic structure study of ordering and interfacial interaction in graphene/Cu composites journal, November 2012

Electron energy-loss spectrometry on lithiated graphite journal, July 2000

Electronic structure of alkali-intercalated graphite studied by soft-x-ray emission spectroscopy journal, February 1987

The Li-Ion Rechargeable Battery: A Perspective journal, January 2013

Soft-x-ray resonant inelastic scattering at the C K edge of diamond journal, October 1992

Three-dimensional unoccupied band structure of graphite: Very-low-energy electron diffraction and band calculations journal, February 2000

Surface structural disordering in graphite upon lithium intercalation/deintercalation journal, June 2010

Lithium motion in the anode material LiC 6 as seen via time-domain 7 Li NMR journal, September 2013

Controlling graphene corrugation on lattice-mismatched substrates journal, August 2008

X-ray absorption and photoelectron spectroscopy studies on graphite and single-walled carbon nanotubes: Oxygen effect journal, August 2005

Charge-Transfer and Non-Rigid-Band Effects in the Graphite Compound Li C 6 journal, January 1980

NEXAFS spectroscopy study of lithium interaction with nitrogen incorporated in porous graphitic material journal, May 2019

Long-run in operando NMR to investigate the evolution and degradation of battery cells journal, January 2018

Charge polarization in partially lithiated single-walled carbon nanotubes journal, January 2018

Title: Revealing the electronic structure of LiC₆ by soft X-ray spectroscopy

Evidence for Interlayer Band Shifts upon Lithium Intercalation in Graphite from Inelastic X-Ray Scattering
journal, May 1988

Core excitons and vibronic coupling in diamond and graphite
journal, November 1993

Issues and challenges facing rechargeable lithium batteries
journal, November 2001

NEXAFS Spectroscopy
book, January 1992

Fine structure and chemical shifts in nonresonant inelastic x-ray scattering from Li-intercalated graphite
journal, July 2007

Insertion Electrode Materials for Rechargeable Lithium Batteries
journal, July 1998

The Chemical Reaction of Diethyl Carbonate with Lithium Intercalated Graphite Studied by X-Ray Photoelectron Spectroscopy
journal, January 2002

$π^{}$ and $σ^{}$ Excitons in C $1 s$ Absorption of Graphite
journal, January 1995

Soft X-ray Absorption and Emission Spectroscopic Investigation of Carbon and Carbon:Transition Metal Composite Films
journal, October 2008

Theoretical study of lithium graphite. I. Band structure, density of states, and Fermi-surface properties
journal, November 1978

Quantum Confinement Effect in Diamond Nanocrystals Studied by X-Ray-Absorption Spectroscopy
journal, June 1999

Lithium batteries: Status, prospects and future
journal, May 2010

Structural diversity in lithium carbides
journal, December 2015

Electronic Structure of Superconducting ${KC}_{8}$ and Nonsuperconducting ${LiC}_{6}$ Graphite Intercalation Compounds: Evidence for a Graphene-Sheet-Driven Superconducting State
journal, May 2011

Towards greener and more sustainable batteries for electrical energy storage
journal, November 2014

Electronic structure study of ordering and interfacial interaction in graphene/Cu composites
journal, November 2012

Electron energy-loss spectrometry on lithiated graphite
journal, July 2000

Electronic structure of alkali-intercalated graphite studied by soft-x-ray emission spectroscopy
journal, February 1987

The Li-Ion Rechargeable Battery: A Perspective
journal, January 2013

Soft-x-ray resonant inelastic scattering at the C K edge of diamond
journal, October 1992

Three-dimensional unoccupied band structure of graphite: Very-low-energy electron diffraction and band calculations
journal, February 2000

Surface structural disordering in graphite upon lithium intercalation/deintercalation
journal, June 2010

Lithium motion in the anode material LiC $_{6}$ as seen via time-domain $^{7}$ Li NMR
journal, September 2013

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journal, August 2008

X-ray absorption and photoelectron spectroscopy studies on graphite and single-walled carbon nanotubes: Oxygen effect
journal, August 2005

Charge-Transfer and Non-Rigid-Band Effects in the Graphite Compound Li $C_{6}$
journal, January 1980

NEXAFS spectroscopy study of lithium interaction with nitrogen incorporated in porous graphitic material
journal, May 2019

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journal, January 2018