Saikat Saha

Mechanistic Understanding of Furan Hydrogenation to Tetrahydrofuran on Transition-metal Surfaces Using Density Functional Theory

—One of the crucial processes in the upgrading of biomass and the generation of green solvents is the selective Hydrogenation of Furan to Tetrahydrofuran (THF). This study employed Density Functional Theory (DFT) to investigate the complete hydrogenation sequence of furan to THF on transition metal surfaces such as Pd...