Experimental evidence for the influence of charge on the adsorption capacity of carbon dioxide on charged fullerenes

Literature Information

Publication Date 2015-12-16
DOI 10.1039/C5CP06587A
Impact Factor 3.676
Authors

Stefan Ralser, Alexander Kaiser, Michael Probst, Johannes Postler, Michael Renzler, Diethard K. Bohme, Paul Scheier


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Abstract

We show, both experimentally and theoretically, that the adsorption of CO2 is sensitive to charge on a capturing model carbonaceous surface. In the experiment we doped superfluid helium droplets with C60 and CO2 and exposed them to ionising free electrons. Both positively and negatively charged C60(CO2)n+/− cluster ion distributions are observed using a high-resolution mass spectrometer and they show remarkable and reproducible anomalies in intensities that are strongly dependent on the charge. The highest adsorption capacity is seen with C60+. Complementary density functional theory calculations and molecular dynamics simulations provided insight into the nature of the interaction of charged C60 with CO2 as well as trends in the packing of C60+ and C60−. The quadrupole moment of CO2 itself was found to be decisive in determining the charge dependence of the observed adsorption features. Our findings are expected to be applied for the adsorption of CO2 on charged surfaces in general.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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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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