Effects of domain size on x-ray absorption spectra of boron nitride doped graphenes

Li, Xin; Hua, Weijie; Wang, Bo-Yao; Pong, Way-Faung; Glans, Per-Anders; Guo, Jinghua; Luo, Yi

doi:10.1063/1.4961628

Title: Effects of domain size on x-ray absorption spectra of boron nitride doped graphenes

Authors:

Li, Xin ^[1];

^[2]; Wang, Bo-Yao ^[3]; Pong, Way-Faung ^[4]; Glans, Per-Anders ^[5]; Guo, Jinghua ^[6]; Luo, Yi ^[7]

Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, People's Republic of China, Department of Theoretical Chemistry and Biology, School of Biotechnology, KTH Royal Institute of Technology, S-10691 Stockholm, Sweden, Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
Department of Theoretical Chemistry and Biology, School of Biotechnology, KTH Royal Institute of Technology, S-10691 Stockholm, Sweden
Department of Physics, National Changhua University of Education, Changhua 500, Taiwan
Department of Physics, Tamkang University, Tamsui 251, Taiwan
Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA, Department of Chemistry and Biochemistry, University of California, Santa Cruz, California 95064, USA
Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, People's Republic of China, Department of Theoretical Chemistry and Biology, School of Biotechnology, KTH Royal Institute of Technology, S-10691 Stockholm, Sweden

Publication Date:: Thu Aug 25 00:00:00 EDT 2016

Sponsoring Org.:: USDOE

OSTI Identifier:: 1306685

Grant/Contract Number:: AC02-05CH11231

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Applied Physics Letters

Additional Journal Information:: Journal Name: Applied Physics Letters Journal Volume: 109 Journal Issue: 8; Journal ID: ISSN 0003-6951

Publisher:: American Institute of Physics

Country of Publication:: United States

Language:: English

Citation Formats


                    Li, Xin, Hua, Weijie, Wang, Bo-Yao, Pong, Way-Faung, Glans, Per-Anders, Guo, Jinghua, and Luo, Yi. Effects of domain size on x-ray absorption spectra of boron nitride doped graphenes.  United States: N. p., 2016. 
Web.  doi:10.1063/1.4961628.

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                    Li, Xin, Hua, Weijie, Wang, Bo-Yao, Pong, Way-Faung, Glans, Per-Anders, Guo, Jinghua, & Luo, Yi. Effects of domain size on x-ray absorption spectra of boron nitride doped graphenes.  United States.  https://doi.org/10.1063/1.4961628

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                    Li, Xin, Hua, Weijie, Wang, Bo-Yao, Pong, Way-Faung, Glans, Per-Anders, Guo, Jinghua, and Luo, Yi. Thu .  
"Effects of domain size on x-ray absorption spectra of boron nitride doped graphenes".  United States.  https://doi.org/10.1063/1.4961628.

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@article{osti_1306685,

  title        = {Effects of domain size on x-ray absorption spectra of boron nitride doped graphenes},

  author       = {Li, Xin and Hua, Weijie and Wang, Bo-Yao and Pong, Way-Faung and Glans, Per-Anders and Guo, Jinghua and Luo, Yi},

  abstractNote = {},

  doi          = {10.1063/1.4961628},

  journal      = {Applied Physics Letters},

  number       = 8,

  volume       = 109,

  place        = {United States},

  year         = {Thu Aug 25 00:00:00 EDT 2016},

  month        = {Thu Aug 25 00:00:00 EDT 2016}

}

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Title: Effects of domain size on x-ray absorption spectra of boron nitride doped graphenes

Citation Formats

Graphene and boron nitride lateral heterostructures for atomically thin circuitry journal, August 2012

Generalized Gradient Approximation Made Simple journal, October 1996

Band Gap Engineering of Chemical Vapor Deposited Graphene by in Situ BN Doping journal, January 2013

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X-ray absorption spectra of graphene from first-principles simulations journal, October 2010

Heteroatom-doped graphene materials: syntheses, properties and applications journal, January 2014

NEXAFS Spectroscopy book, January 1992

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

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density journal, January 1988

Binary and Ternary Atomic Layers Built from Carbon, Boron, and Nitrogen journal, July 2012

Special points for Brillouin-zone integrations journal, June 1976

Electric Field Effect in Atomically Thin Carbon Films journal, October 2004

Selective nitrogen doping in graphene: Enhanced catalytic activity for the oxygen reduction reaction journal, December 2011

Optoelectronic Properties in Monolayers of Hybridized Graphene and Hexagonal Boron Nitride journal, June 2012

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

From ultrasoft pseudopotentials to the projector augmented-wave method journal, January 1999

Band gap tunning in BN-doped graphene systems with high carrier mobility journal, February 2014

In-plane heterostructures of graphene and hexagonal boron nitride with controlled domain sizes journal, January 2013

Atomic layers of hybridized boron nitride and graphene domains journal, February 2010

A relaxation correction to core-level binding-energy shifts in small molecules journal, August 1972

On the validity of the equivalent cores approximation for computing X-ray photoemission and photoabsorption spectral bands journal, October 2000

Theoretical Study of Core Excitations of Fullerene-Based Polymer Solar Cell Acceptors journal, November 2012

Core excitations of naphthalene: Vibrational structure versus chemical shifts journal, September 2004

Electronic and Transport Properties of Boron-Doped Graphene Nanoribbons journal, May 2007

Vibrationally resolved high-resolution NEXAFS and XPS spectra of phenanthrene and coronene journal, July 2014

Spectroscopic investigation of nitrogen doped graphene journal, September 2012

Electronic Structure of Nitrogen-Doped Graphene in the Ground and Core-Excited States from First-Principles Simulations journal, July 2015

Scanning Tunneling Microscopy Simulations of Nitrogen- and Boron-Doped Graphene and Single-Walled Carbon Nanotubes journal, June 2010

Band Gaps of BN-Doped Graphene: Fluctuations, Trends, and Bounds journal, February 2015

Chirality and diameter dependent x-ray absorption of single walled carbon nanotubes journal, July 2009

Theoretical study of two Ih-symmetry-breaking C60 isomers and their chlorinated species in core-excited and ground states journal, June 2012

Hexagonal Boron Nitride-Graphene Heterostructures: Synthesis and Interfacial Properties journal, October 2015

N-Doping of Graphene Through Electrothermal Reactions with Ammonia journal, May 2009

Graphene and boron nitride lateral heterostructures for atomically thin circuitry
journal, August 2012

Generalized Gradient Approximation Made Simple
journal, October 1996

Band Gap Engineering of Chemical Vapor Deposited Graphene by in Situ BN Doping
journal, January 2013

Thermodynamic interpretation of chemical shifts in core-electron binding energies
journal, April 1970

X-ray absorption spectra of graphene from first-principles simulations
journal, October 2010

Heteroatom-doped graphene materials: syntheses, properties and applications
journal, January 2014

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

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
journal, January 1988

Binary and Ternary Atomic Layers Built from Carbon, Boron, and Nitrogen
journal, July 2012

Special points for Brillouin-zone integrations
journal, June 1976

Electric Field Effect in Atomically Thin Carbon Films
journal, October 2004

Selective nitrogen doping in graphene: Enhanced catalytic activity for the oxygen reduction reaction
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Optoelectronic Properties in Monolayers of Hybridized Graphene and Hexagonal Boron Nitride
journal, June 2012

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

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

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In-plane heterostructures of graphene and hexagonal boron nitride with controlled domain sizes
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journal, February 2010

A relaxation correction to core-level binding-energy shifts in small molecules
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