Ke Yu

TL;DR: Experiments and density functional theory results demonstrate single-atom Bi-N4 site is the dominating active center simultaneously for CO2 activation and the rapid formation of key inter-mediate COOH* with low free energy barrier.

TL;DR: In this paper, a fast pyrolyzing and controllable activation strategy was proposed to construct an O-rich carbonaceous support and atomically dispersed FeN4 site with axial O coordination, which was confirmed by aberration-corrected electron microscopy and X-ray absorption spectroscopy.

TL;DR: In this article , a heteronuclear Mo-Se dual-single-atom electrocatalyst (MoSA-SeSA) was proposed for CO2 reduction with a Faradaic efficiency of above 90% over a broad potential window.

TL;DR: In this article , the synergy between Ru single atoms (RuNC) and RuSex cluster compounds (RuSex) for neutral hydrogen evolution reaction (HER) was investigated using ab initio molecular dynamics, operando X-ray absorption spectroscopy, and operando surface-enhanced infrared absorption spectrograph.

TL;DR: In this article , the authors report a strategy of atomic-level understanding on the single-atomic active sites with unique coordination structures in electrocatalysts for CO2 reduction reaction (CO2RR).