Solvation of K+ in helium droplets


Yurtsever E., YILDIRIM E., Yurtsever M., BODO E., GIANTURCO F. A.

EUROPEAN PHYSICAL JOURNAL D, vol.43, pp.105-108, 2007 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 43
  • Publication Date: 2007
  • Doi Number: 10.1140/epjd/e2007-00068-x
  • Journal Name: EUROPEAN PHYSICAL JOURNAL D
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.105-108
  • Istanbul Technical University Affiliated: No

Abstract

Solvation of K+ in helium droplets is studied by classical simulation methods. We have previously shown that additive potentials can be used to describe structures of helium droplets when an ionic species is present. Here, we present an accurate ab-initio potential for the K+ - He interaction. Global minima of KHen+ for up to n=70 are searched for employing Basin Hopping Monte Carlo simulations with a random growth scheme. The extent of the solvation is analyzed. A clear formation of two shells with 15 and 23 atoms is detected.