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Journal of Rare Earths 2000年第1期18卷 14-17页

作者：李润华孟建新曾学然周达君周建英 State Key Laboratory of Ultrafast Laser Spectroscopy Zhongshan University Guangzhou 510275 China

The use of cooperative vibronic spectroscopy to measure coordination numbers of the ligands surrounding rare earth ions in solutions was proposed and demonstrated. It is shown that the time-resolved cooperative vibronic spectroscopy is a very useful technique for the determination of the ligand type and ligand number for different coordination groups. coordination configuration of arginine with Tb3+ in solutions with different pH values was studied. It demonstrates that the carboxy1 of arginine can replace H2O to coordinate with Tb3+ and the coordination number of carboxyl increases with the increase of pH value of the solutions.

关键词： rare earths coordination configuration aminoacid cooperative vibronic spectroscopy

coordination configurations of cupric tartrate in electronic industry wastewater

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Transactions of Nonferrous Metals Society of China 2022年第11期32卷 3753-3766页

作者： Ming-jun HAN Jian-yong HE Wei SUN Sai LI Heng YU Tong YUE Xin WEI Chen-yang ZHANG Key Laboratory of Hunan Province for Clean and Efficient Utilization of Strategic Calcium-containing Mineral Resources School of Minerals Processing and BioengineeringCentral South UniversityChangsha 410083China Suzhou Dongfang Environmental Engineering Co. Ltd.Suzhou 215110China Key Laboratory of Hunan Province for Comprehensive Utilization of Complex Copper−Lead Zinc Associated Metal Resources Hunan Research Institute for Nonferrous MetalsChangsha 410100China State Key Laboratory of Complex Nonferrous Metal Resources Clean Utilization Kunming University of Science and TechnologyKunming 650093China

The coordination structure of cupric tartrate(Cu−TA)complex was investigated by ultraviolet−visible(UV-Vis)and liquid chromatography/mass spectrometer(LC-MS)firstly;furthermore,effective coordination configurations and electronic properties of Cu−TA in aqueous solution were systematically revealed by density functional theory(DFT)***,Job plots show the possible existence of[Cu(TA)]and[Cu(TA)_(2)]^(2-)at 230 and 255 nm based on UV-Vis ***-MS results confirm the existence of the single and high coordination complexes[Cu_(2)(TA)_(2)]^(+),[Cu(TA)_(2)]^(+)and[Cu_(2)(TA)_(3)(H_(2)O)_(2)(OH)_(2)]^(2+).DFT calculation results show that carboxylic oxygen and hydroxyl oxygen of tartaric acid(TA)are preferred sites for Cu(Ⅱ)coordination.[Cu(TA)](1H,3H sites O of TA coordinated with Cu(Ⅱ)),[Cu(TA)_(2)]^(2-)(two 1^(C),2^(H) sites O of TA coordinated with Cu(Ⅱ)),and[Cu(TA)_(3)]^(4-)(three 2H,3H sites O of TA coordinated with Cu(Ⅱ))should be dominant coordination configurations of Cu−*** corresponding Gibbs reaction energies are-170.1,-136.2,and-90.2 kJ/mol,respectively.

关键词： electronic industry wastewater copper tartaric acid cupric tartrate complex coordination configuration density functional theory

Metal-organic frameworks based single-atom catalysts for advanced fuel cells and rechargeable batteries

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Journal of Energy Chemistry 2023年第5期80卷 501-534,I0012页

作者： Yifei Wu Peng Hu Fengping Xiao Xiaoting Yu Wenqi Yang Minqi Liang Ziwei Liang Aixin Zhu College of Chemistry and Chemical Engineering Yunnan Normal UniversityKunming 650500YunnanChind School of Energy and Environment Science Yunnan Normal UniversityKunming 650500.YunnanChina Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education) Nankai UniversityTianjin 300071China School of Environment and Chemical Engineering Zhaoqing UniversityZhaoqing 526061GuangdongChina

The next-generation energy storage systems such as fuel cells,metal-air batteries,and alkali metal(Li,Na)-chalcogen(S,Se)batteries have received increasing attention owing to their high energy density and low ***,one of the main obstacles of these systems is the poor reaction kinetics in the involved chemical ***,it is essential to incorporate suitable and efficient catalysts into the *** years,single-atom catalysts(SACs)are emerging as a frontier in catalysis due to their maximum atom efficiency and unique reaction *** SACs fabrication,metal-organic frameworks(MOFs)have been confirmed as promising templates or precursors due to their high metal loadings,structural adjustability,porosity,and tailorable catalytic *** this review,we summarize effective strategies for fabricating SACs by MOFs with corresponding advanced characterization techniques and illustrate the key role of MOFs-based SACs in these batteries by explaining their reaction mechanisms and ***,current applications,prospects,and opportunities for MOFs-based SACs in energy storage systems are discussed.

关键词： Metal-organic frameworks Single-atom catalysts Rechargeable batteries Electrocatalysts coordination configuration

Strain and interfacial engineering to accelerate hydrogen evolution reaction of two-dimensional phosphorus carbide

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Chinese Physics B 2021年第2期30卷 449-456页

作者： Tao Huang Yuan Si Hong-Yu Wu Li-Xin Xia Yu Lan Wei-Qing Huang Wang-Yu Hu Gui-Fang Huang Department of Applied Physics School of Physics and ElectronicsHunan UniversityChangsha 410082China Department of Physics Kashgar UniversityKashgar 844006China College of Physics and Electronic Engineering Hengyang Normal UniversityHengyang 421002China School of Materials Science and Engineering Hunan UniversityChangsha 410082China

Hydrogen,regarded as a promising energy carrier to alleviate the current energy crisis,can be generated from hydrogen evolution reaction(HER),whereas its efficiency is impeded by the activity of ***,effective strategies,such as strain and interfacial engineering,are imposed to tune the catalysis performance of novel two-dimensional(2D)phosphorus carbide(PC)layers using first-principle *** findings show that P site in pristine monolayer PC(ML-PC)exhibits higher HER performance than C ***,constructing bilayer PC sheet(BL-PC)can change the coordinate configuration of P atom to form 3-coordination-P atom(3-co-P)and 4-coordination-P atom(4-co-P),and the original activity of 3-co-P site is higher than the 4-co-P *** an external compressive strain is applied,the activity of the 4-co-P site is enhanced whereas the external strain can barely affect that of 3-co-P ***,the graphene substrate enhances the overall activity of the BL-PC because the graphene substrate optimizes the?GH*value of 4-co-P site,although it can barely affect the HER activity of 3-co-P site and *** desirable properties render 2 D PC-based material promising candidates for HER catalysts and shed light on the wide utilization in electrocatalysis.

关键词： phosphorus carbide hydrogen evolution reaction(HER) coordination configuration electrocatalysis first principle calculations