Elucidation of oxyanion coordination geometries at solid surfaces of varied electric field strengths

Literature Information

Publication Date 2009-07-08
DOI 10.1039/B909925E
Impact Factor 3.676
Authors

Jean-François Boily


View Original

Abstract

Density functional theory calculations of oxyanions exposed to external electric fields revealed systematic variations in molecular geometries and vibration stretching frequencies. These variations can be used in laboratory studies to determine coordination geometries of oxyanions adsorbed on solid surfaces using infrared spectroscopy.

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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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