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《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2017,129(24):7066-7069
A ground‐breaking empirical valence bond study for a soluble transition‐metal complex is presented. The full reaction of catalyst monomers approaching and reacting in the RuV oxidation state were studied. Analysis of the solvation shell in the reactant and along the reaction coordinate revealed that the oxo itself is hydrophobic, which adds a significant driving force to form the dimer. The effect of the solvent on the reaction between the prereactive dimer and the product was small. The solvent seems to lower the barrier for the isoquinoline (isoq) complex while it is increased for pyridines. By comparing the reaction in the gas phase and solution, the proposed π‐stacking interaction of the isoq ligands is found to be entirely driven by the water medium. 相似文献
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Dong He Xianyin Song Wenqing Li Chongyang Tang Jiangchao Liu Zunjian Ke Prof. Changzhong Jiang Prof. Xiangheng Xiao 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(17):6996-7002
Despite the fact that many strategies have been developed to improve the efficiency of the oxygen evolution reaction (OER), the precise modulation of the surface electronic properties of catalysts to improve their catalytic activity is still challenging. Herein, we demonstrate that the surface active electron density of Co3O4 can be effectively regulated by an argon-ion irradiation method. X-ray photoelectron and synchrotron x-ray absorption spectroscopy, UV photoelectron spectrometry, and DFT calculations show that the surface active electron density band center of Co3O4 has been upshifted, leading to a significantly enhanced absorption capability of the oxo group. The optimized Co3O4-based catalysts exhibit an excellent overpotential of 260 mV at 10 mA cm−2 and Tafel slope of 54 mV dec−1, superior to the capability of the benchmark RuO2, representing one of the best Co-based OER catalysts. This approach could guide the future rational design and discovery of ideal electrocatalysts. 相似文献
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