Revealing the Adsorption Behavior of Nitrogen Reduction Reaction on Strained Ti2CO2 by a Spin‐Polarized d‐band Center Model (Small 9/2024)
At a Glance
Section titled “At a Glance”| Metadata | Details |
|---|---|
| Publication Date | 2024-03-01 |
| Journal | Small |
| Authors | Yaqin Zhang, Yuhang Wang, Ninggui Ma, Bochun Liang, Yu Xiong |
| Institutions | City University of Hong Kong |
Abstract
Section titled “Abstract”Nitrogen Reduction Reaction In article number 2306840, Jun Fan and co-workers showed that tensile strain tuning the oxidation states of Ti and favoring O-vacancy formation in Ti2CO2 enhances electrochemical dinitrogen reduction. The downshift of d-band center leads to unique adsorption behaviors of N-containing intermediates, which is elucidated by a spin-polarized d-band center model.