Electrochemical Potential Derived from Atomic Cluster Structures

Jinglian Du, Debao Xiao, Bin Wen, Roderick Melnik, Yoshiyuki Kawazoe

Research output: Contribution to journalArticlepeer-review

9 Citations (Scopus)


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., ψ = k·(1/r2). 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.

Original languageEnglish
Pages (from-to)567-571
Number of pages5
JournalJournal of Physical Chemistry Letters
Issue number3
Publication statusPublished - 2016 Feb 4

ASJC Scopus subject areas

  • Materials Science(all)
  • Physical and Theoretical Chemistry


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