Solvation of K+ in helium droplets

Yurtsever E., Yildirim E., Yurtsever M., Bodo E., Gianturco F. A.

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

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 43
  • Basım Tarihi: 2007
  • Doi Numarası: 10.1140/epjd/e2007-00068-x
  • Dergi Adı: EUROPEAN PHYSICAL JOURNAL D
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.105-108
  • Orta Doğu Teknik Üniversitesi Adresli: Hayır

Özet

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.