Helium nanodroplets doped with xenon and rubidium atoms: a case study of van der Waals interactions between heliophilic and heliophobic dopants

Literature Information

Publication Date 2012-09-17
DOI 10.1039/C2CP42333B
Impact Factor 3.676
Authors

Johannes Poms, Andreas W. Hauser, Wolfgang E. Ernst


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Abstract

In this work we apply density-functional theory to simulate a double-dotation of He-clusters with Rb and Xe atoms. We investigate the influence of the He droplet environment on the weak van der Waals interaction between xenon and rubidium. The heliophilic Xe resides inside the droplet, while the heliophobic Rb stays on its surface. The effect of this spatial separation, the stability of the system and its properties are discussed in the context of future experiments.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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