| 초록 |
Fine dispersion of metal nanoclusters is of primary importance in maximizing the active surface area, which is, per se, related to the mass- or volume-normalized catalytic activity. To this end, recent studies report an ultimately fine dispersion at the atomic scale, often called as single-atom catalysts, which show drastically modified catalytic activity and selectivity. In this talk, I will discuss our recent theoretical efforts to develop comprehensive and unified understanding of unique chemistry of single atom electrocatalysts. Using first-principles calculations along with intensive theory-experiment collaborations, we identify the chemical nature of the atomically dispersed catalytic active sites, and unveil the reaction mechanisms. We further suggest to bring important understanding on the organometallic chemistry to heterogeneous electrocatalysis at the single atom active sites, which provides new insights for the rational design of many other single atom electrocatalysts. |
