Fig. 4: Investigation of Cu(OH)BTA stability under CO2RR.
From: Stabilizing copper sites in coordination polymers toward efficient electrochemical C-C coupling
a Gibbs free energy diagram of hydrogenation of *CO on Cu(OH)BTA slab and Cu(111) slab. b KIE of H/D in CO2RR on Cu(OH)BTA under the potential range from −0.75 to −0.81 V. The error bars for ethylene KIE uncertainty represent one standard deviation based on three independent samples. c Gibbs free energy diagram of CO2RR to C2+ and CH4 pathway on Cu(OH)BTA slab. Inset figures: top-view geometries of intermediates (*CHO, *CHO + *CO, TSC-C, and *OCCHO) along CO2-to-C2+ pathway on Cu(OH)BTA slab.
