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Mechanistic insight into the synergy between nickel single atoms and nanoparticles on N-doped carbon for electroreduction of CO2

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Journal of Energy Chemistry 2025年第1期100卷 327-336页

作者： Mingdong Sun Wenwen Guan cailing Chen Chao Wu x.aoling Liu Biao Meng Tao Chen Yu Han Jun Wang Shibo x. Yu Zhou State Key Laboratory of Materials-Oriented Chemical Engineering College of Chemical Engineering Nanjing Tech University Advanced Membranes and Porous Materials Center Physical Sciences and Engineering Division King Abdullah University of Science and Technology Institute of Sustainability for Chemicals Energy and Environment A*STAR (Agency for Science Technology and Research) College of Materials Science and Engineering Sichuan University

The synergy of single atoms （SAs） and nanoparticles （NPs） has demonstrated great potential in promoting the electrocatalytic carbon diox.de reduction reaction （CO2RR）;however,the rationalization of the SAs/NPs proportion remains one challenge for the catalyst ***,a Ni2+-loaded porous poly（ionic liquids）(PIL) precursor synthesized through the free radical self-polymerization of the ionic liquid monomer,1-allyl-3-vinylimidazolium chloride,was pyrolyzed to prepare the Ni,N co-doped carbon materials,in which the proportion of Ni SAs and NPs could be facilely modulated by controlling the annealing *** catalyst Ni-NC-1000 with a moderate proportion of Ni SAs and NPs ex.ibited high efficiency in the electrocatalytic conversion of CO2into *** Ni K-edge x.ray absorption near-edge structure （x.NES） spectra and theoretical calculations were conducted to gain insight into the synergy of Ni SAs and *** charge transfer from Ni NPs to the surrounding carbon layer and then to the Ni SAs resulted in the electron-enriched Ni SAs active *** the electroreduction of CO2,the coex.stence of Ni SAs and NPs strengthened the CO2activation and the affinity towards the key intermediate of*COOH,lowering the free energy for the potential-determining*CO2→*COOH step,and therefore promoted the catalysis efficiency.

关键词： Activation energy

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Deciphering the role of ultra-low-loaded rhodium in NiFe-MIL-53 for superior ox.gen evolution reaction

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Journal of Energy Chemistry 2025年第1期100卷 77-86页

作者： Jinzhi Jia Jinhua Zhang Kailu Guo Lanyue Zhang Gening Du Hao You Junfeng Huang Mudong Tu Hua Li Yong Peng Wei Dou cailing x. State Key Laboratory of Applied Organic Chemistry College of Chemistry and Chemical Engineering School of Materials and Energy Lanzhou University College of Chemistry and Chemical Engineering Luoyang Normal University

Designing highly active and stable electrocatalysts of ox.gen evolution reaction （OER） is one of the crucial *** this study,a novel OER electrocatalyst,NiFe-MIL-53 modified with ultra-low rhodium（Rh@NiFe-MIL-53）,is successfully prepared via the hydrothermal ***-situ Raman spectroscopy and electrochemical impedance spectroscopy reveal that the doped Rh accelerates the phase transformation of NiFe-MIL-53 and the in-situ formed Rh@NiFeOOH is the actual active *** importantly,the enhanced reversibility of electrochemical reconstruction between NiFeOOH and NiFe（OH）2after doping Rh is beneficial for improving the electrochemical stability of the catalyst.x.ray photoelectron spectroscopy spectra show the strong electronic interaction between single-atom Rh and Ni/Fe in Rh@***,theoretical calculations confirm that the integration of single-atom Rh into the NiFeOOH successfully reduces the band gap,regulates the d-band center （εd）,accelerates the charge transfer,and optimizes the adsorption behavior of ox.gen-containing intermediates,thereby lowering the energy barrier of rate-determining ***,the optimized Rh@NiFe-MIL-53 ex.ibits ex.ellent OER activity （240 mV） with a small Tafel slope of 48.2 mV dec-1and long-term durability (over1270 h at 10 m A cm-2and 110 h at 200 mA cm-2).This work presents a new perspective on designing highly efficient OER electrocatalysts.

关键词： x.ray photoelectron spectroscopy

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The Stochastic Max.mum Principle for a Jump-Diffusion Mean-Field Model Involving Impulse Controls and Applications in Finance

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Journal of Systems Science & Complex.ty 2020年第1期33卷 26-42页

作者： LI cailing LIU Zaiming WU Jinbiao HUANG x.ang School of Mathematics and Statistics Central South UniversityChangsha 410083China Research and Development Center Agricultural Bank of ChinaBeijing 100161China

This paper establishes a stochastic max.mum principle for a stochastic control of mean-field model which is governed by a Lévy process involving continuous and impulse *** authors also show the ex.stence and uniqueness of the solution to a jump-diffusion mean-field stochastic differential equation involving impulse *** for its application,a mean-variance portfolio selection problem has been solved.

关键词： Impulse control jump-diffusion Markowitz’s mean-variance model stochastic max.mum principle

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Position-Aware and Subgraph Enhanced Dynamic Graph Contrastive Learning on Discrete-Time Dynamic Graph

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Computers, Materials & Continua 2024年第11期81卷 2895-2909页

作者： Jian Feng Tian Liu cailing Du College of Computer Science&Technology Xi’an University of Science and TechnologyXi’an710054China

Unsupervised learning methods such as graph contrastive learning have been used for dynamic graph represen-tation learning to eliminate the dependence of ***,ex.sting studies neglect positional information when learning discrete snapshots,resulting in insufficient network topology *** the same time,due to the lack of appropriate data augmentation methods,it is difficult to capture the evolving patterns of the network *** address the above problems,a position-aware and subgraph enhanced dynamic graph contrastive learning method is proposed for discrete-time dynamic ***,the global snapshot is built based on the historical snapshots to ex.ress the stable pattern of the dynamic graph,and the random walk is used to obtain the position representation by learning the positional information of the ***,a new data augmentation method is carried out from the perspectives of short-term changes and long-term stable structures of dynamic ***,subgraph sampling based on snapshots and global snapshots is used to obtain two structural augmentation views,and node structures and evolving patterns are learned by combining graph neural network,gated recurrent unit,and attention ***,the quality of node representation is improved by combining the contrastive learning between different structural augmentation views and between the two representations of structure and *** results on four real datasets show that the performance of the proposed method is better than the ex.sting unsupervised methods,and it is more competitive than the supervised learning method under a semi-supervised setting.

关键词： Dynamic graph representation learning graph contrastive learning structure representation position representation evolving pattern

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Improved non-negative tensor Tucker decomposition algorithm for interference hyper-spectral image compression

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Science China(Information Sciences) 2015年第5期58卷 112-120页

作者： WEN Jia ZHAO JunSuo MA CaiWen WANG cailing Science and Technology on Integrated Information System Laboratory Institute of SoftwareChinese Academy of Sciences x.'an Institute of Optics and Precision Mechanics Chinese Academy of Sciences College of Computer Science Xi'an Shiyou University

The compression method, first proposed in 2012, is based on the non-negative tensor decomposition for interference hyper-spectral image data. As a tensor is generated by a huge amount of interference hyper-spectral images, the multiplicative update algorithm is made ex.remely complicated, and even *** reduce the computational cost and speed up the convergence, this paper, based on the characteristics of interference hyper-spectral images, develops a new algorithm using different down-sampling factors for different non-negative wavelet sub-band tensors. The ex.erimental results showed that this algorithm could significantly shorten the running time, while maintaining a good compression performance compared with the conventional methods.

关键词： interference hyper-spectral images LASIS three-dimensional lifting wavelet transform non-negative tensor decomposition image com

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Many—Body Contributions to Cohesive Energy of Highly Compressed Solid ^4He^＊

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Chinese Physics Letters 2003年第5期20卷 706-708页

作者： TIANChun-Ling LIUFu-Sheng cailing-Cang JINGFu-Qian InstituteofPhysics SouthwestJiaotongUniversityChengdu610031 LaboratoryofShockWaveandDetonationPhysicsResearch ChineseAcademyofEngineeringPhysicsMianyang621900

A many-body ex.ansion of cohesive energy of solid 4He is made up to five-body term, and short-range two-, three-, four- and five-body contributions have been computed by using the Hartree-Fock self-consistent-field technique and the same atomic basis set (6311G). At high densities the Hartree-Fock part of two- and four-body contributions are repulsive, whereas the three- and five-body ones are attractive. The four-body term increases as much as 15% repulsion of two-body term, and at the same time the five-body term reduces 4% of two-body repulsion at 2.5 cm3/mol. The four- and five-body terms are found to be important to describe short-range inter-atomic interaction correctly and to compute the cohesive energy accurately in a wide compression range from 2.5 to 7.5 cm3/mol.

关键词： ~4He 氦离子粘着能量高压缩固体相互作用数值计算

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Halogenated benzothiadiazole-based conjugated polymers as efficient photocatalysts for dye degradation and ox.dative coupling of benzylamines

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Chinese Chemical Letters 2022年第5期33卷 2736-2740页

作者： Chu Chu Yuancheng Qin cailing Ni Jianping Zou Key Laboratory of Jiangx. Province for Persistent Pollutants Control and Resources Recycle Nanchang Hangkong UniversityNanchang 330063China

Donor-acceptor(D-A)conjugated polymers are widely used in photovoltaic applications and heteroge-neous catalysis due to their tunable building block and pre-designable ***,a series of ad-justable Donor-acceptor(D-A)benzothiodiazole-based conjugated polymers were designed and *** photocatalytic performance could be improved by fine-tuning the chemical structure by halo-gen substitution(F or Cl).The polymers ex.ibited ex.ellent optoelectronic properties and were effective photocatalysts for the degradation of RhB and MO dyes,as well as promoting the ox.dative coupling of *** degradation of RhB and MO occurred in 30 min under visible light radiation,while the yield of benzylamine coupling mediated by superox.de anion was as high as 82%.Systematic characterization methods were used to gain insights on the unique photocatalytic performance of the *** findings provide further insights into the design and synthesis of benzothiadiazole-based conjugated polymers as promising organic photocatalysts for solar energy conversion.

关键词： Conjugated polymer Band gap Dye degradation Photocatalysis Benzylamine ox.dation

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Preparation,applications,and challenges of functional DNA nanomaterials

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Nano Research 2023年第3期16卷 3895-3912页

作者： Lei Zhang Mengge Chu cailing Ji Jie Tan Quan Yuan Molecular Science and Biomedicine Laboratory(MBL) State Key Laboratory of Chemo/Biosensing and ChemometricsCollege of Chemistry and Chemical EngineeringHunan UniversityChangsha 410082China

As a carrier of genetic information,DNA is a versatile module for fabricating nanostructures and *** molecules could be integrated into DNA by precise base complementary pairing,greatly ex.anding the functions of DNA *** functions endow DNA nanomaterials with great potential in the application of biomedical *** recent years,functional DNA nanomaterials have been rapidly investigated and *** have been reviews that classified DNA nanomaterials from the perspective of functions,while this review primarily focuses on the preparation methods of functional DNA *** review comprehensively introduces the preparation methods of DNA nanomaterials with functions such as molecular recognition,nanozyme catalysis,drug delivery,and biomedical material ***,the latest application progress of functional DNA nanomaterials is systematically ***,current challenges and future prospects for functional DNA nanomaterials are discussed.

关键词： DNA nanomaterial function preparation biomedical application

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Three Semi-empirical Analytic Ex.ressions for the Radial Distribution Function of Hard Spheres

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Communications in Theoretical Physics 2004年第3期41卷 400-404页

作者： SUNJiu-x.n cailing-Gang WUQiang JINGFu-Qian DepartmentofAppliedPhysics UniversityofElectronicScienceandTechnologyChengdu610054China LaboratoryforShockWave＆DetonationPhysicsResearch SouthwestInstituteofFluidPhysicsP.O.Box919-102Mianyang621900China

Three simple analytic ex.ressions satisfying the limitation condition at low densities for the radial distribution function of hard spheres are developed in terms of a polynomial ex.ansion of nonlinear base functions and the Carnahan-Starling equation of state. The simplicity and precision for these ex.ressions are superior to the well-known Percus Yevick ex.ression. The coefficients contained in these ex.ressions have been determined by fitting the Monte Carlo data for the first coordination shell, and by fitting both the Monte Carlo data and the numerical results of PercusYevick ex.ression for the second coordination shell. One of the ex.ressions has been applied to develop an analytic equation of state for the square-well fluid, and the numerical results are in good agreement with the computer simulation data.

关键词： radial distribution function hard spheres equation of state square-well fluids

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Traction rheological properties of simulative soil for deep-sea sediment

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Journal of Oceanology and Limnology 2019年第1期37卷 62-71页

作者： QI cailing RAO Qiuhua LIU Qi MA Wenbo College of Civil Engineering and Mechanics Xiangtan University Hunan Key Laboratory of Geomechanics and Engineering Safety Xiangtan University School of Civil Engineering Central South University

The traction capacity of the mining machine is greatly in?uenced by the traction rheological properties of the deep-sea sediments. The best simulative soil was prepared for substituting the deep-sea sediment based on the deep-sea sediment collected from the Paci?c C-C mining area. Traction rheological properties of the simulative soil were studied by a home-made test apparatus. In order to accurately describe the traction rheological properties and determine traction rheological parameters, the Newtonian dashpot in Max.ell body of Burgers model was replaced by a self-similarity spring-dashpot fractance and a new rheological constitutive model was deduced by fractional derivative theory. The results show the simulative soil has obvious non-attenuate rheological properties. The transient creep and stable creep rate increase with the traction, but they decrease with ground pressure. The fractional derivative Burgers model are better in describing non-attenuate rheological properties of the simulative soil than the classical Burgers model. For the new traction rheological constitutive equation of the simulative soil, the traction rheological parameters can be obtained by ?tting the tested traction creep data with the traction creep constitutive equation. The ground contact length of track and walking velocity of the mining machine predicted by the traction rheological constitutive equation can be used to take full advantages of the max.mum traction provided by the soil and safely improve mining effciency.

关键词： simulative soil traction rheological properties constitutive model rheological parameters ground contact length of track walking velocity

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