  The catalytic activities of the atomic Y-, Ru-, At-, In-, Pd-, Ag-, Pt-, and
Os- ions have been investigated theoretically using the atomic Au- ion as the
benchmark for the selective partial oxidation of methane to methanol without
CO2 emission. Dispersion-corrected density-functional theory has been used for
the investigation. From the energy barrier calculations and the thermodynamics
of the reactions, we conclude that the catalytic effect of the atomic Ag-, At-,
Ru-, and Os- ions is higher than that of the atomic Au- ion catalysis of CH4
conversion to methanol. By controlling the temperature around 290K (Os-), 300K
(Ag-), 310K (At-), 320K (Ru-) and 325K (Au-) methane can be completely oxidized
to methanol without the emission of CO2. We conclude by recommending the
investigation of the catalytic activities of combinations of the above negative
ions for significant enhancement of the selective partial oxidation of methane
to methanol.
