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结果表明,具有Cu-N4 SAs的Fe AC表现出优异的ORR性能,在碱中具有0.92 eV的半波电势,在酸中具有0.80 eV的半波电势,并且在锌-空气电池中具有214.8 mW cm-2的高功率密度。相关工作以“Modulating Electronic Structures of Iron Clusters through Orbital Rehybridization by Adjacent Single Copper Sites for Efficient ...
Although Cu+ and all alkali cations have 1S electronic ground states, the comparison shows different trends for Cu+ because of hybridization effects involving the valence d-electrons. 展开 关键词: MALDI PSD CID TOF tandem mass spectra DOI: 10.1021/jp003509p 被引量: 130 ...
The first shell of the Ag + ion is filled with four NH 3 molecules and the resulting tetrahedral Ag +(NH 3) 4 complex is solvated by subsequent NH 3 molecules through hydrogen bonding. A coordination number of 2 for Cu + can be ascribed to extensive 4s-3d hybridization in Cu +, ...
The binding energy of the M 3d bands and the hybridization between N 2p and M 3d states both increase when going across the row from M=Mn to M=Cu. Localization of the Cu 3d states also leads to weak screening of Cu 2p and 3s states, which accounts for shifts in the core 2p and ...
on the catalyst surface. The PDOS analysis of adsorption configuration shows that a large number of orbital hybridization may be the reason for the strong adsorption performance of CO on Cu1/CeO2(110)...
[8,49]. From the theoretical point of view, the achievement of a p-TCO with improved characteristics relies on the delocalization of the VB by promoting the orbital hybridization between nd10metal cations and O2porbitals. Figure2depicts a survey over the reports of electrical conductivity for Ag...
General trends in structures and energetics are recorded for both Cu + (OH 2 ) n and Cu + (NH 3 ) n systems. The first two ligands are more strongly bound to Cu + than the third and fourth molecules. The 4s–3d σ hybridization and electrostatic interactions are the main factors ...
on the catalyst surface. The PDOS analysis of adsorption configuration shows that a large number of orbital hybridization may be the reason for the strong adsorption performance of CO on Cu1/CeO2(110)...
The lower bandgap energy is a result of the extra N-atoms connected to the terminal NH2 groups in the form of 1,2,4-triazole, which are different from the usual C3N4 in that they are bridged by a N-atom through sp2 hybridization [42–44]. The construction of heterojunction ...