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P-Block Antimony-Copper Single-Atom Alloys for Selective Nitrite Electroreduction to Ammonia.

Fuzhou WangShiyao ShangZeyi SunXing YangYe Tian
Published in: ACS nano (2024)
Electrocatalytic reduction of NO 2 - to NH 3 (NO 2 RR) offers an effective method for alleviating NO 2 - pollution and generating valuable NH 3 . Herein, a p-block single-atom alloy, namely, isolated Sb alloyed in a Cu substrate (Sb 1 Cu), is explored as a durable and high-current-density NO 2 RR catalyst. As revealed by the theoretical calculations and operando spectroscopic measurements, we demonstrate that Sb 1 incorporation can not only hamper the competing hydrogen evolution reaction but also optimize the d-band center of Sb 1 Cu and intermediate adsorption energies to boost the protonation energetics of NO 2 - -to-NH 3 conversion. Consequently, Sb 1 Cu integrated in a flow cell achieves an outstanding NH 3 yield rate of 2529.4 μmol h -1 cm -2 and FE NH3 of 95.9% at a high current density of 424.2 mA cm -2 , as well as a high durability for 100 h of electrolysis.
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