Publication details
Comment on "Some Unexpected Behavior of the Adsorption of Alkali Metal Ions onto Graphene Surface under the Effect of External Electric Field"
| Authors | |
|---|---|
| Year of publication | 2015 |
| Type | Article in Periodical |
| Magazine / Source | Journal of Physical Chemistry C |
| MU Faculty or unit | |
| 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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