title: Electrochemical Potential Derived from Atomic Cluster Structures.
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.
authors.affiliation: State Key Laboratory of Metastable Materials Science and Technology, Yanshan University , Qinhuangdao 066004, China.
authors.forename: Jinglian
authors.initials: J
authors.lastname: Du
authors.affiliation: Institute of Advanced Materials, Nanjing Tech University , Nanjing 211800, China.
authors.forename: Debao
authors.initials: D
authors.lastname: Xiao
authors.affiliation: State Key Laboratory of Metastable Materials Science and Technology, Yanshan University , Qinhuangdao 066004, China.
authors.forename: Bin
authors.initials: B
authors.lastname: Wen
authors.affiliation: MS2 Discovery Interdisciplinary Research Institute, Wilfrid Laurier University , 75 University Avenue West, Waterloo, Ontario, Canada N2L 3C5.|BCAM-Basque Center for Applied Mathematics , E48009 Bilbao, Spain.
authors.forename: Roderick
authors.initials: R
authors.lastname: Melnik
authors.affiliation: New Industry Creation Hatchery Center, Tohoku University , 6-6-4 Aramaki-aza-Aoba, Aoba-ku, Sendai 980-8579, Japan.|Institute of Thermophysics, Siberian Branch of the Russian Academy of Sciences , 1, Lavyrentyev Avenue, Novosibirsk 630090, Russia.
authors.forename: Yoshiyuki
authors.initials: Y
authors.lastname: Kawazoe