Some unexpected behavior of the adsorption of alkali metal ions onto the graphene surface under the effect of external electric field

Beáta Peles-Lemli, Dániel Kánnár, Jia Cai Nie, Heng Li, S. Kunsági-Máté

Research output: Contribution to journalArticle

28 Citations (Scopus)

Abstract

In this work the interaction between alkali metal ions and a graphene surface with the absence and the presence of an external electric field applied perpendicular to the surface was investigated. M05-2X/6-31G(d) DFT calculations were performed to describe the adsorption properties. Results show that the electric field pushes the positively charged ion closer to the graphene, where the charge transfer between the alkali metal cations and the electron rich graphene surface increases. At a species-dependent certain strength of the electric field, the excess electrons cause negative charge on the alkali metal ion. This effect will promote the removal of the ion from the surface.

Original languageEnglish
Pages (from-to)21509-21515
Number of pages7
JournalJournal of Physical Chemistry C
Volume117
Issue number41
DOIs
Publication statusPublished - Oct 17 2013

Fingerprint

Alkali Metals
Graphite
Alkali metals
alkali metals
Graphene
Metal ions
metal ions
graphene
Electric fields
Adsorption
adsorption
electric fields
Ions
Electrons
Discrete Fourier transforms
Cations
Charge transfer
ions
electrons
Positive ions

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Electronic, Optical and Magnetic Materials
  • Surfaces, Coatings and Films
  • Energy(all)

Cite this

Some unexpected behavior of the adsorption of alkali metal ions onto the graphene surface under the effect of external electric field. / Peles-Lemli, Beáta; Kánnár, Dániel; Nie, Jia Cai; Li, Heng; Kunsági-Máté, S.

In: Journal of Physical Chemistry C, Vol. 117, No. 41, 17.10.2013, p. 21509-21515.

Research output: Contribution to journalArticle

@article{621a7ed2cc154e7e98f0652825037e04,
title = "Some unexpected behavior of the adsorption of alkali metal ions onto the graphene surface under the effect of external electric field",
abstract = "In this work the interaction between alkali metal ions and a graphene surface with the absence and the presence of an external electric field applied perpendicular to the surface was investigated. M05-2X/6-31G(d) DFT calculations were performed to describe the adsorption properties. Results show that the electric field pushes the positively charged ion closer to the graphene, where the charge transfer between the alkali metal cations and the electron rich graphene surface increases. At a species-dependent certain strength of the electric field, the excess electrons cause negative charge on the alkali metal ion. This effect will promote the removal of the ion from the surface.",
author = "Be{\'a}ta Peles-Lemli and D{\'a}niel K{\'a}nn{\'a}r and Nie, {Jia Cai} and Heng Li and S. Kuns{\'a}gi-M{\'a}t{\'e}",
year = "2013",
month = "10",
day = "17",
doi = "10.1021/jp403856e",
language = "English",
volume = "117",
pages = "21509--21515",
journal = "Journal of Physical Chemistry C",
issn = "1932-7447",
publisher = "American Chemical Society",
number = "41",

}

TY - JOUR

T1 - Some unexpected behavior of the adsorption of alkali metal ions onto the graphene surface under the effect of external electric field

AU - Peles-Lemli, Beáta

AU - Kánnár, Dániel

AU - Nie, Jia Cai

AU - Li, Heng

AU - Kunsági-Máté, S.

PY - 2013/10/17

Y1 - 2013/10/17

N2 - In this work the interaction between alkali metal ions and a graphene surface with the absence and the presence of an external electric field applied perpendicular to the surface was investigated. M05-2X/6-31G(d) DFT calculations were performed to describe the adsorption properties. Results show that the electric field pushes the positively charged ion closer to the graphene, where the charge transfer between the alkali metal cations and the electron rich graphene surface increases. At a species-dependent certain strength of the electric field, the excess electrons cause negative charge on the alkali metal ion. This effect will promote the removal of the ion from the surface.

AB - In this work the interaction between alkali metal ions and a graphene surface with the absence and the presence of an external electric field applied perpendicular to the surface was investigated. M05-2X/6-31G(d) DFT calculations were performed to describe the adsorption properties. Results show that the electric field pushes the positively charged ion closer to the graphene, where the charge transfer between the alkali metal cations and the electron rich graphene surface increases. At a species-dependent certain strength of the electric field, the excess electrons cause negative charge on the alkali metal ion. This effect will promote the removal of the ion from the surface.

UR - http://www.scopus.com/inward/record.url?scp=84885991361&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84885991361&partnerID=8YFLogxK

U2 - 10.1021/jp403856e

DO - 10.1021/jp403856e

M3 - Article

AN - SCOPUS:84885991361

VL - 117

SP - 21509

EP - 21515

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

SN - 1932-7447

IS - 41

ER -