Electrochemical Potential Derived from Atomic Cluster Structures

The Journal of Physical Chemistry Letters
Jinglian DuYoshiyuki Kawazoe

Abstract

Based on the atomic cluster structures and free electron approximation model, it is revealed that the electrochemical potential (ECP) for the system of interest is proportional to the reciprocal of atomic cluster radius squared, i.e., φ = k·(1/r(2)). Applied to elemental crystals, the correlation between atomic cluster radii and the ECP that we have predicted agrees well with the previously reported results. In addition, some other physicochemical properties associated with the ECP have also been found relevant to the atomic cluster radii of materials. Thus, the atomic cluster radii can be perceived as an effective characteristic parameter to measure the ECP and related properties of materials. Our results provide a better understanding of ECP directly from the atomic structures perspective.

References

Sep 15, 1992·Physical Review. B, Condensed Matter·H L Skriver, N M Rosengaard
Oct 25, 2011·Nature Materials·G N GreavesT Rouxel

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Citations

Sep 20, 2016·Scientific Reports·Jinglian DuBin Wen

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