Methane Oxidation to Methanol without CO2 Emission: Catalysis by Atomic Negative Ions

TL;DR

This study uses density-functional theory to identify atomic negative ions like Ag-, At-, Ru-, and Os- as effective catalysts for converting methane to methanol without CO2 emissions, suggesting promising avenues for cleaner fuel production.

Contribution

It introduces a theoretical investigation of atomic negative ions as catalysts for methane oxidation, highlighting specific ions with higher catalytic effects than gold.

Findings

Ag-, At-, Ru-, and Os- ions show higher catalytic activity than Au-.

Methane can be fully converted to methanol around 290-325K without CO2 emission.

Recommends exploring combinations of these ions for enhanced catalysis.

Abstract

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.