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FOROUTANNEJAD, Cina and Radek MAREK. Potential energy surface and binding energy in the presence of an external electric field: modulation of anion–pi interactions for graphene-based receptors. Physical Chemistry Chemical Physics. Cambridge: Royal Society of Chemistry, 2014, vol. 16, No 6, p. 2508-2514. ISSN 1463-9076. doi:10.1039/c3cp52671b.
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Basic information
Original name Potential energy surface and binding energy in the presence of an external electric field: modulation of anion–pi interactions for graphene-based receptors
Authors FOROUTANNEJAD, Cina (364 Islamic Republic of Iran, belonging to the institution) and Radek MAREK (203 Czech Republic, guarantor, belonging to the institution).
Edition Physical Chemistry Chemical Physics, Cambridge, Royal Society of Chemistry, 2014, 1463-9076.
Other information
Original language English
Type of outcome Article in a journal
Field of Study 10403 Physical chemistry
Country of publisher United Kingdom of Great Britain and Northern Ireland
Confidentiality degree is not subject to a state or trade secret
WWW DOI: 10.1039/c3cp52671b
Impact factor Impact factor: 4.493
RIV identification code RIV/00216224:14310/14:00074895
Organization unit Faculty of Science
Doi http://dx.doi.org/10.1039/c3cp52671b
UT WoS 000333201900001
Keywords in English Electric field; binding enery; potential energy surface; anion_pi; graphene
Tags AKR, kontrola MP, podil, rivok
Tags International impact, Reviewed
Changed by Changed by: prof. RNDr. Radek Marek, Ph.D., učo 381. Changed: 7. 11. 2014 17:31.
Abstract
Measuring the binding energy or scanning the potential energy surface (PES) of the charged molecular systems in the presence of an external electric field (EEF) requires a careful evaluation of the origin-dependency of the energy of the system and references. Scanning the PES for charged or purely ionic systems for obtaining the intrinsic energy barriers needs careful analysis of the electric work applied on ions by the EEF. The binding energy in the presence of an EEF is different from that in the absence of an electric field as the binding energy is an anisotropic characteristic which depends on the orientation of molecules with respect to the EEF. In this contribution we discuss various aspects of the PES and the concept of binding energy in the presence of an EEF. In addition, we demonstrate that the anion–pi bonding properties can be modulated by applying a uniform EEF, which has a more pronounced effect on the larger, more polarizable pi-systems. An analogous behavior is presumed for cation–pi systems. We predict that understanding the phenomenon introduced in the present account has enormous potential, for example, for separating charged species on the surface of polarizable two-dimensional materials such as graphene or the surface of carbon nanotubes, in desalination of water.
Links
ED1.1.00/02.0068, research and development projectName: CEITEC - central european institute of technology
EE2.3.30.0009, research and development projectName: Zaměstnáním čerstvých absolventů doktorského studia k vědecké excelenci
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