Fig. 4
From: Boosting selective nitrogen reduction to ammonia on electron-deficient copper nanoparticles
Density functional theory calculations and stability. a Calculated absorption configurations (bottom) and corresponding Gibbs free energy diagrams of each step of NRR process on pristine Cu (black), Cu-0.04e− (blue) and Cu-0.06e−(red) models. b The turnover frequency (TOF) values and NH3 generation yield rates of Cu/PI-300 and benchmarked NRR electrocatalyst in the literature (details listed in Table S3). The i-t curves c of five runs of 6-h NRR reaction over a reused Cu/PI-300 at −0.4 V vs. RHE and corresponding NH3 yield rates and TOF values d
