Comment on "Some Unexpected Behavior of the Adsorption of Alkali Metal Ions onto Graphene Surface under the Effect of External Electric Field"

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Authors

FOROUTANNEJAD Cina NOVÁK Martin MAREK Radek

Year of publication 2015
Type Article in Periodical
Magazine / Source Journal of Physical Chemistry C
MU Faculty or unit

Central European Institute of Technology

Citation
Web DOI: 10.1021/jp511541p
Doi http://dx.doi.org/10.1021/jp511541p
Field Physical chemistry and theoretical chemistry
Keywords binding energy; external electric field; excited state; graphene; ion
Description Is a shorter bond a less stable bond? Neglecting the origin-dependence of the total electronic energy is the source of error in the article by Peles-Lemli et al.; considering the origin-dependence solves the problem regarding the unexpected changes in BE-BL, reported in the original article. In fact, while studying a charged system in an EEF, position of the origin with respect to all charged species, both the main complex and the reference systems, must remain constant.
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