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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Interatomic Coulombic decay in mixed NeKr clusters.
Tiberiu Arion1, Melanie Mucke, Marko Förstel
1Max-Planck-Institut für Plasmaphysik, EURATOM Association, Garching bei München, Germany.
The Journal of Chemical Physics
|February 24, 2011
Summary
Interatomic Coulombic decay (ICD) was observed in mixed Neon-Krypton clusters. This process involves electron emission from Krypton after Neon
Area of Science:
- Atomic and Molecular Physics
- Quantum Chemistry
- Surface Science
Background:
- Interatomic Coulombic decay (ICD) is a phenomenon where an excited atom in a molecule or cluster transfers its energy to a neighboring atom, leading to the emission of an electron.
- Understanding ICD in mixed atomic systems is crucial for characterizing energy transfer dynamics and electronic interactions in van der Waals clusters.
Purpose of the Study:
- To investigate the occurrence and characteristics of interatomic Coulombic decay (ICD) in mixed Neon-Krypton (NeKr) clusters.
- To explore the influence of photon energy, cluster composition, and cluster size on the ICD process in NeKr systems.
Main Methods:
- Photoelectron spectroscopy was employed to detect electrons emitted during the ICD process.
- Coincidence measurements were performed with Ne 2s photoelectrons to identify and analyze the ICD signal.
- Systematic variation of experimental parameters including photon energy, Kr concentration, and cluster size.
Main Results:
- A distinct ICD feature was observed in the kinetic energy spectrum of emitted electrons, ranging from 9 to 12 eV.
- The ICD process was initiated by a Ne 2s vacancy, filled by a Ne 2p electron, with subsequent electron emission from a Kr 4p level.
- The ICD electron energy showed a slight increase and the development of a shoulder with increasing Kr concentration (from 2% to 5%), suggesting surface versus bulk effects.
Conclusions:
- The study confirms the occurrence of ICD in mixed NeKr clusters, demonstrating efficient energy transfer between Neon and Krypton atoms.
- The observed dependence of ICD electron energy on cluster composition provides insights into the role of atomic environment and cluster structure.
- The findings contribute to a deeper understanding of fundamental electronic processes in mixed atomic systems and van der Waals interactions.
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