Oscillatory electrostatic potential on graphene induced by group IV element decoration

Du, Chunyan; Yu, Liwei; Liu, Xiaojie; Liu, Lili; Wang, Cai-Zhuang

doi:10.1038/s41598-017-13603-w

Title: Oscillatory electrostatic potential on graphene induced by group IV element decoration

Abstract

The structures and electronic properties of partial C, Si and Ge decorated graphene were investigated by first-principles calculations. The calculations show that the interaction between graphene and the decoration patches is weak and the semiconductor patches act as agents for weak electron doping without much disturbing graphene electronic π-bands. Redistribution of electrons due to the partial decoration causes the electrostatic potential lower in the decorated graphene areas, thus induced an electric field across the boundary between the decorated and non-decorated domains. Such an alternating electric field can change normal stochastic adatom diffusion to biased diffusion, leading to selective mass transport.

Authors:

Du, Chunyan ^[1]; Yu, Liwei ^[1]; Liu, Xiaojie ^[1]; Liu, Lili ^[2]; Wang, Cai-Zhuang ^[3]

Northeast Normal Univ., Changchun (China). Center for Quantum Sciences. School of Physics
Beijing Technology and Business Univ. (China). Dept. of Chemistry. School of Science
Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy

Publication Date:: Fri Oct 13 00:00:00 EDT 2017

Research Org.:: Ames Lab. and Iowa State Univ., Ames, IA (United States); Northeast Normal Univ., Changchun (China)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Natural Science Foundation of China (NSFC); Science and Technology Dept. of Jilin Province (China)

OSTI Identifier:: 1407482

Report Number(s):: IS-J-9479
Journal ID: ISSN 2045-2322; PII: 13603

Grant/Contract Number:: AC02-07CH11358; 11574044; 21503006; 20150520088JH

Resource Type:: Accepted Manuscript

Journal Name:: Scientific Reports

Additional Journal Information:: Journal Volume: 7; Journal ID: ISSN 2045-2322

Publisher:: Nature Publishing Group

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; density functional theory; electronic properties and devices; electronic properties and materials; electronic structure

Citation Formats


                    Du, Chunyan, Yu, Liwei, Liu, Xiaojie, Liu, Lili, and Wang, Cai-Zhuang. Oscillatory electrostatic potential on graphene induced by group IV element decoration.  United States: N. p., 2017. 
Web.  doi:10.1038/s41598-017-13603-w.

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                    Du, Chunyan, Yu, Liwei, Liu, Xiaojie, Liu, Lili, & Wang, Cai-Zhuang. Oscillatory electrostatic potential on graphene induced by group IV element decoration.  United States.  https://doi.org/10.1038/s41598-017-13603-w

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                    Du, Chunyan, Yu, Liwei, Liu, Xiaojie, Liu, Lili, and Wang, Cai-Zhuang. Fri .  
"Oscillatory electrostatic potential on graphene induced by group IV element decoration".  United States.  https://doi.org/10.1038/s41598-017-13603-w.  https://www.osti.gov/servlets/purl/1407482.

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@article{osti_1407482,

  title        = {Oscillatory electrostatic potential on graphene induced by group IV element decoration},

  author       = {Du, Chunyan and Yu, Liwei and Liu, Xiaojie and Liu, Lili and Wang, Cai-Zhuang},

  abstractNote = {The structures and electronic properties of partial C, Si and Ge decorated graphene were investigated by first-principles calculations. The calculations show that the interaction between graphene and the decoration patches is weak and the semiconductor patches act as agents for weak electron doping without much disturbing graphene electronic π-bands. Redistribution of electrons due to the partial decoration causes the electrostatic potential lower in the decorated graphene areas, thus induced an electric field across the boundary between the decorated and non-decorated domains. Such an alternating electric field can change normal stochastic adatom diffusion to biased diffusion, leading to selective mass transport.},

  doi          = {10.1038/s41598-017-13603-w},

  journal      = {Scientific Reports},

  number       = ,

  volume       = 7,

  place        = {United States},

  year         = {Fri Oct 13 00:00:00 EDT 2017},

  month        = {Fri Oct 13 00:00:00 EDT 2017}

}

Copy to clipboard

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Title: Oscillatory electrostatic potential on graphene induced by group IV element decoration

Abstract

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

Inhibiting Klein Tunneling in a Graphenep−nJunction without an External Magnetic Field journal, June 2016

Ambipolar doping in quasifree epitaxial graphene on SiC(0001) controlled by Ge intercalation journal, September 2011

An exchange intercalation mechanism for the formation of a two-dimensional Si structure underneath graphene journal, May 2012

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Epitaxial Graphene Transistors: Enhancing Performance via Hydrogen Intercalation journal, September 2011

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Semiempirical GGA-type density functional constructed with a long-range dispersion correction journal, January 2006

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Edge Structures for Nanoscale Graphene Islands on Co(0001) Surfaces journal, May 2014

Silicon Layer Intercalation of Centimeter-Scale, Epitaxially-Grown Monolayer Graphene on Ru(0001) text, January 2011

Bipolar gating of epitaxial graphene by intercalation of Ge journal, June 2014

Oxygen Intercalation of Graphene on Transition Metal Substrate: An Edge-Limited Mechanism journal, September 2015

Graphene: Status and Prospects journal, June 2009

Influence of copper foil polycrystalline structure on graphene anisotropic etching journal, January 2017

Influence of copper foil polycrystalline structure on graphene anisotropic etching journal, January 2017

Semiempirical GGA-type density functional constructed with a long-range dispersion correction journal, January 2006

Ab initiomolecular dynamics for liquid metals journal, January 1993

Edge Structures for Nanoscale Graphene Islands on Co(0001) Surfaces journal, May 2014

Synthesis of Different Layers of Graphene on Stainless Steel Using the CVD Method journal, November 2016

Epitaxial Graphene Transistors: Enhancing Performance via Hydrogen Intercalation journal, September 2011

The Backside of Graphene: Manipulating Adsorption by Intercalation journal, October 2013

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Electronic and structural properties of graphene-based metal-semiconducting heterostructures engineered by silicon intercalation journal, September 2014

Extended van Hove Singularity and Superconducting Instability in Doped Graphene journal, April 2010

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Synthesis of Freestanding Graphene on SiC by a Rapid-Cooling Technique journal, November 2016

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Si intercalation/deintercalation of graphene on 6 H -SiC(0001) journal, January 2012

Silicon layer intercalation of centimeter-scale, epitaxially grown monolayer graphene on Ru(0001) journal, February 2012

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

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Projector augmented-wave method journal, December 1994

Electronic and magnetic properties of zigzag graphene nanoribbon with one edge saturated journal, April 2010

Generalized Gradient Approximation Made Simple
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Inhibiting Klein Tunneling in a Graphenep−nJunction without an External Magnetic Field
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Ambipolar doping in quasifree epitaxial graphene on SiC(0001) controlled by Ge intercalation
journal, September 2011

An exchange intercalation mechanism for the formation of a two-dimensional Si structure underneath graphene
journal, May 2012

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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An exchange intercalation mechanism for the formation of a two-dimensional Si structure underneath graphene
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Structural dynamics of basaltic melt at mantle conditions with implications for magma oceans and superplumes
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Epitaxial Graphene Transistors: Enhancing Performance via Hydrogen Intercalation
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Electric Field Effect in Atomically Thin Carbon Films
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First-principles multiscale modelling of charged adsorbates on doped graphene
journal, April 2017

Periodic boundary conditions in ab initio calculations
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Growth mechanism for epitaxial graphene on vicinal $6 H -SiC (0001)$ surfaces: A scanning tunneling microscopy study
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Semiempirical GGA-type density functional constructed with a long-range dispersion correction
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From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Quasi-Free-Standing Epitaxial Graphene on SiC Obtained by Hydrogen Intercalation
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Graphene: Status and Prospects
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journal, June 2014

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journal, January 2017

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journal, January 1993

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journal, May 2014

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journal, September 2014

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Synthesis of Freestanding Graphene on SiC by a Rapid-Cooling Technique
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Si intercalation/deintercalation of graphene on 6 $H$ -SiC(0001)
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)
journal, December 1992

Projector augmented-wave method
journal, December 1994

Electronic and magnetic properties of zigzag graphene nanoribbon with one edge saturated
journal, April 2010