Single-atom Fe-N-C catalysts has attracted widespread attentions in the oxygen reduction reaction (ORR). However, the origin of ORR activity on Fe-N-C catalysts is still unclear, which hinder the further improvement of Fe-N-C catalysts. Herein, we provide a model to understand the ORR acti...
spectra of Cu K-edge in 2D-Cu–N–C, 2D-FeCu–N–C, and FePc@2D-Cu–N–C display a main peak at ~1.5 Å (not corrected for phase shift) due to the Cu–N coordination (Fig.3c). All wavelet transform (WT) contour plots at the Fe/Cu K-edge of 2D-FeCu–N–C, and F...
DFT计算表明, Fe 1 /N-C在较低温度下能够很好 地活化反应物和中间体, 因此具有较高的选择性加氢活性. 此外, Fe 1 /N-C在较高温度下可以克服异丙醇脱氢反应的能量障碍, 因此 具有很好的转移加氢性能.Science China PressScience China Materials
Density functional theory calculation results revealed that a CNT played a key role in optimizing the distribution of bonding and antibonding states in the Fe 3d orbital, resulting in the outstanding ability of FeSA-N-CNT for PMS chemical adsorption and activation. Moreover, CNT could significantly...
Herein, authors propose geometric and electronic descriptors concomitantly correlated with coordinative unsaturation of Fe single atoms to engineer highly active and robust positive electrode for Na-S batteries.Nature Publishing Group UKNature CommunicationsWanqing Songhttps://ror.org/012tb2g32grid....
The ORR activity of the designed catalyst stems from single-atomactive centers but is markedly enhanced by the presence of Fe nanoclusters,as confirmed by both experimental measurements and theoretical calculations. 展开 关键词: DFT computation single-atom catalyst oxygen reduction electrocatalysts Fe ...
内容提示: 2101038 (1 of 8) © 2021 Wiley-VCH GmbHwww.advmat.deReseaRch aRticleMIL-101-Derived Mesoporous Carbon Supporting Highly Exposed Fe Single-Atom Sites as Ef f i cient Oxygen Reduction Reaction CatalystsXiaoying Xie, Lishan Peng, Hongzhou Yang, Geof f rey I. N. Waterhouse, Lu ...
Single-atom Fe-Nx sites were confirmed to be the main active sites for PMS activation. FeSA-N/C-20 with a higher density of Fe-Nx sites exhibited superior catalytic performance to N/C, FeSA-N-C, FeSA-N/C-15, and FeSA-N/C-25 for BPA degradation. Integrated with chemical quenching ...
The principle not only offers a strategy to design highly active nonprecious metal single-atom catalysts with specific active centres, for example, Fe-pyridine/pyrrole-N4 for the oxygen reduction reaction; Co-pyrrole-N4 for the oxygen evolution reaction; and Mn-pyrrole-N4 for the hydrogen ...
Dual single-atomic Ni–N4 and Fe–N4 sites constructing janus hollow graphene for selective oxygen electrocatalysis. Adv. Mater. 32, 2003134 (2020). CAS Google Scholar Bai, L., Hsu, C.-S., Alexander, D. T. L., Chen, H. M. & Hu, X. Double-atom catalysts as a molecular platform...