(273d) Elucidating the Role of Photons and Atmospheric Aerosols in the Reduction of Oxidized Mercury Species
In our work, we have employed first-principles density functional theory (DFT) calculations to probe the reduction of Hg(II) species on atmospheric aerosol surfaces.4 Through this work, we will elucidate both the reduction mechanism for Hg(II) species over a range of aerosol surfaces and the combined role of atmospheric aerosols and photons in the reduction of Hg(II) species. We will also show the usefulness of DFT as a novel approach to study atmospheric aerosol chemistry.
1. Y. Tong el al. Environ. Sci.: Processes Impacts, 2013, 15, 1883â??1888.
2. A.P. Rutter and J.J. Schauer. Environ. Sci. Technol., 2007, 41, 3934â??3939.
3. B. de Foy et al. Atmos. Environ., 2016, 134, 27â??39.
4. S.A. Tacey, L. Xu, M. Mavrikakis, and J.J. Schauer. J. Phys. Chem. A, 2016, 120, 2106â??2113.