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

Journal of Physical Chemistry C

Volumn 117, Issue 41, 2013, Pages 21509-21515

  Peles Lemli, Beáta ^a   Kánnár, Dániel ^a   Nie, Jia Cai ^b   Li, Heng ^c   Kunsági Máté, Sándor ^a  

^a UNIVERSITY OF PÉCS   (Hungary)

^b BEIJING NORMAL UNIVERSITY   (China)

^c XIAMEN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION PROPERTIES; ALKALI METAL CATIONS; DFT CALCULATION; ELECTRON-RICH; EXCESS ELECTRONS; EXTERNAL ELECTRIC FIELD; NEGATIVE CHARGE; POSITIVELY CHARGED;

ADSORPTION; ELECTRIC FIELDS; METAL IONS;

GRAPHENE;

EID: 84885991361     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp403856e     Document Type: Article

References (31)

1. Kim, C.; Kim, B.; Lee, S. M.; Jo, C.; Lee, Y. H. Effect of Electric Field on the Electronic Structures of Carbon Nanotubes Appl. Phys. Lett. 2001, 79, 1187-1189
2. Guo, Y.; Guo, W.; Chen, C. Tuning Field-induced Energy Gap of Bilayer Graphene via Interlayer Spacing Appl. Phys. Lett. 2008, 92, 243101
3. Liu, H.; Lee, J. Y. Electric Field Effects on the Adsorption of CO on a Graphene Nanodot and the Healing Mechanism of a Vacancy in a Graphene Nanodot J. Phys. Chem. C 2012, 116, 3034-3041
4. 2 Molecule on the Surface of Au-Doped Graphene under an External Electric Field J. Phys. Chem. C 2012, 116, 19918-19924
5. Jiang, Q. G.; Ao, Z. M.; Chu, D. W.; Q. Jiang, Q. Reversible Transition of Graphene from Hydrophobic to Hydrophilic int he Presence of an Electric Field J. Phys. Chem. C 2012, 116, 19321-19326
6. Peles-Lemli, B.; Kollár, L.; Kunsági-Máté, S. Thermodynamics of the Solvation of Carbon Nanotubes: Exchange of Aniline to Primary Alcohols on the Surface of Carbon Nanotubes Fullerenes, Nanotubes, Carbon Nanostruct. 2010, 18, 207-215
7. Peles-Lemli, B.; Matisz, G.; Kelterer, A. M.; Fabian, W. M. F.; Kunsági-Máté, S. Noncovalent Interaction between Aniline and Carbon Nanotubes: Effect of Nanotube Diameter and the Hydrogen-Bonded Solvent Methanol on the Adsorption Energy and the Photophysics J. Phys. Chem. C 2010, 114, 5898-5905
8. Li, H.; Nie, J. C.; Kunsági-Máté, S. Modified Dispersion of Functionalized Multi-Walled Carbon Nanotubes in Acetonitrile Chem. Phys. Lett. 2010, 492, 258-262
9. 2 Films J. Phys. Chem. C 2011, 115, 1480-1483
10. 2 Films Chem. Phys. Lett. 2012, 531, 183-187
11. Li, H.; Nie, J. C.; Li, J. C.; Kunsági-Máté, S. Ethanol Induced Formation of Graphene Fractions Suspended in Acetonitrile Carbon 2013, 54, 495-497
12. 2 Islands Grown on Sapphire Substrate Surf Science 2010, 604, 654-659
13. Zhao, Y.; Schultz, Y. E.; Truhlar, D. G. Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions J. Chem. Theory Comput. 2006, 2, 364-382
14. Zhao, Y.; Truhlar, D. G. Density Functionals with Broad Applicability in Chemistry Acc. Chem. Res. 2008, 41, 157-167
15. + ion on Graphene: A DFT Study Appl. Surf. Sci. 2011, 258, 1651-1655
16. Frisch, M. J.; Gaussian 09, revision C.01; Gaussian, Inc.: Wallingford, CT, 2009.
17. HyperChem Professional 7; HyperCube: Gainesville, FL, 2002.
18. Tournus, F.; Charlier, J.-C. Ab Initio Study of Benzene Adsorption on Carbon Nanotubes Phys. Rev. B 2005, 71, 165421
19. Efremenko, I.; Sheintuch, M. Predicting Solute Adsorption on Activated Carbon: Phenol Langmuir 2006, 22, 3614-3621
20. Gómez, B.; Martínez-Magadán, J. M. A Theoretical Study of Dibenzothiophene Absorbed on Open-Ended Carbon Nanotubes J. Phys. Chem. B 2005, 109, 14868-14875
21. Wang, Y.; Bu, Y. Noncovalent Interactions between Cytosine and SWCNT: Curvature Dependence of Complexes via π···π Stacking and Cooperative CH···π/NH···π J. Phys. Chem. B 2007, 111, 6520-6526
22. Ma, L.; Wang, J.; Ding, F. Recent Progress and Challenges in Graphene Nanoribbon Synthesis Chem. Phys. Chem. 2013, 14, 47-54
23. Dai, Q. Q.; Zhu, Y. F.; Jiang, Q. Electronic and Magnetic Engineering in Zigzag Graphene Nanoribbons Having a Topological Line Defect at Different Positions with or without Strain J. Phys. Chem. C 2013, 117, 4791-4799
24. 2+ Interaction with Polycyclic Aromatic Hydrocarbons J. Phys. Chem. C 2011, 115, 9656-9667
25. Tachikawa, H.; Shimizu, A. Diffusion Dynamics of the Li+ Ion on a Model Surface of Amorphous Carbon: A Direct Molecular Orbital Dynamics Study J. Phys. Chem. B 2005, 109, 13255-13262
26. Suzuki, T.; Hasegawa, T.; Mukai, S. R.; Tamon, H. A Theoretical Study on Storage States of Li Ions in Carbon Anodes of Li Ion Batteries using Molecular Orbital Calculations Carbon 2003, 41, 1933-1939
27. Uthaisar, C.; Barone, V. Edge Effects on the Characteristics of Li Diffusion in Graphene Nano Lett. 2010, 10, 2838-2842
28. Wang, Z. Alignment of Graphene Nanoribbons by an Electric Field Carbon 2009, 47, 3050-3053
29. Lee, H.; Kim, S.; Ihm, J.; Son, Y. W.; Choi, H. J. Field-induced Recovery of Massless Dirac Fermions in Epitaxial Graphene on SiC Carbon 2011, 49, 2300-2305
30. Glendening, E. D.; Reed, A. E.; Carpenter, J. E.; Weinhold, F. NBO, version 3.1; Gaussian, Inc.: Wallingford, CT, 2009.
31. + doping on electronic states of graphene J. Power Source 2010, 195, 6148-6152