MDH is able to assist in the conversion of CO2 to methanol through a series of electrochemical reactions. It then oxidizes methanol to formaldehyde in the presence of an activator (ammonia) and cytochrome cL, its natural electron transport mediator. The transition geometries and energy barriers of the electrochemical reactions that involve methanol production from carbon dioxide are investigated. In this work, quantum mechanical Density Functional Theory simulations are performed to investigate the binding of MDH to cytochrome cL and the CO2 conversion of methanol in the presence of MDH using Density Functional Theory.
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