鐵基氧化物NH3-SCR催化劑具備成本低廉、環(huán)境友好、中高溫性能優(yōu)異、抗SO2性能較強等優(yōu)點，具有很大的應(yīng)用潛力。我們結(jié)合實驗表征與第一性原理計算，發(fā)現(xiàn)NO的活化對α-Fe2O3基催化劑上的NH3-SCR反應(yīng)至關(guān)重要，該發(fā)現(xiàn)對于深入認識鐵基NH3-SCR催化劑的工作原理和高性能鐵基SCR催化劑的研發(fā)都具有重要意義。封面設(shè)計以不同反應(yīng)路徑的對比為切入點，將反應(yīng)物到產(chǎn)物的不同反應(yīng)路徑具象化為通過電梯或樓梯登上樓頂?shù)倪^程，生動地展現(xiàn)出了“遵循Langmuir-Hinshelwood機理的NO活化路徑（電梯）比遵循Eley-Rideal機理的NH3活化路徑（樓梯）明顯更容易進行”的科學發(fā)現(xiàn)。
——高萌博士，中國科學院生態(tài)環(huán)境研究中心
Effective catalytic reduction of nitric oxide (NO) using ammonia (NH3) is an important technique towards abating nitrogen oxide (NOx) pollution from stationary and mobile sources. This study elucidated the reaction mechanisms of catalyst α-Fe2O3 (012) at the atomic level, which is important for developing additional Fe-based selective catalytic reduction catalysts as environmentally friendly and effective future alternatives.
利用氨（NH3）對一氧化氮（NO）進行有效催化還原，是減少固定和移動污染源氮氧化物（NOx）的重要技術(shù)。該研究在原子層面上詳述了催化劑α-Fe2O3的反應(yīng)機制。該研究有助于開發(fā)更多具環(huán)保優(yōu)勢的鐵基催化劑。
—— Julie B. Zimmerman, Editor-in-Chief, Environmental Science &Technology
中國科學院生態(tài)環(huán)境研究中心
Reaction Pathways of the Selective Catalytic Reduction of NO with NH3 on the α-Fe2O3(012) Surface: a Combined Experimental and DFT Study
2021,?Vol.?55,?No.?16
https://pubs.acs.org/doi/10.1021/acs.est.1c01628
