<div>Electrochemical reduction of CO2 to useful chemical and fuels in an energy efficient way is
currently an expensive and inefficient process. Recently, low-cost transition metal-carbides (TMCs) are
proven to exhibit similar electronic structure similarities to Platinum-Group-Metal (PGM) catalysts and
hence can be good substitutes for some important reduction reactions. In this work, we test graphenesupported WC (Tungsten Carbide) nanocluster as an electrocatalyst for the CO2 reduction reaction.
Specifically, we perform DFT studies to understand various possible reaction mechanisms and determine
the lowest thermodynamic energy landscape of CO2 reduction to various products such as CO, HCOOH,
CH3OH, and CH4. This in-depth study of reaction energetics could lead to improvements and develop more
efficient electrocatalysts for CO2 reduction.<br></div>
First-principles microkinetics simulations of electrochemical reduction of CO2 over Cu catalysts
