Understanding the Dynamics Governing Electrocatalytic Hydrodeoxygenation of Lignin Bio-Oil to Hydrocarbons
Jialu Wang, Man Ho Han, Kezia Langie, Da Hye Won, Mi‐Young Lee, Cheoulwoo Oh, Hyo Sang Jeon, Jai Hyun Koh, Hyung‐Suk Oh, Dong Ki Lee, Woong Hee Lee
Abstract
Electrocatalytic hydrodeoxygenation (EHDO) is a promising approach for upgrading biomass-derived bio-oils to sustainable fuels without the use of high-pressure hydrogen gas and elevated temperatures. However, direct EHDO for realistic hydrophobic lignin-based oil production remains challenging. Herein, we discuss the molecular dynamics that govern the EHDO of lignin bio-oil over Pt/C in an acidic electrolyte added with 2-propanol or a surfactant. Excellent conversion (98.1%) and a high yield (79.0%) of hydrogenated products, including 40.5% propyl-cyclohexane, are achieved under ambient temperature and pressure. Experimental results and various investigations on molecular dynamics suggest that EHDO occurs at the water-solvent-catalyst three-phase boundary. Proton transfer significantly influences the current density of EHDO. Factors such as cluster size and vector of lignin-based oil to electrode govern the selectivity and Faradaic efficiency of EHDO. This work advances the understanding of dynamics for EHDO and suggests governing factors to improve it.