Carbon dioxide adsorption on a ZnO(100) substrate studied by infrared reflection absorption spectroscopy
Literature Information
Maria Buchholz, Peter G. Weidler, Fabian Bebensee, Alexei Nefedov, Christof Wöll
The adsorption of carbon dioxide on the mixed-terminated ZnO(100) surface of a bulk single crystal was studied by UHV Infrared Reflection Absorption Spectroscopy (IRRAS). In contrast to metals, the classic surface selection rule for IRRAS does not apply to bulk oxide crystals, and hence vibrational bands can also be observed for s-polarized light. Although this fact substantially complicates data interpretation, a careful analysis allows for a direct determination of the adsorbate geometry. Here, we demonstrate the huge potential of IR-spectroscopy for investigations on oxide single crystal surfaces by considering all three components of the incident polarized light separately. We find that the tridentate (surface) carbonate is aligned along the [0001] direction. A comparison to data reported previously for CO2 adsorbed on the surfaces of ZnO nanoparticles provides important insight into the role of defects in the surface chemistry of powder particles.
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Physical Chemistry Chemical Physics

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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