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Electron-microscopical visualization on the interfacial and crystallographic structures of lithium metal anode

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Chinese Chemical Letters 2024年第6期35卷 26-37页

作者： Jiale Zheng Mei Chen Huadong Yuan Jianmin Luo Yao Wang Jianwei Nai Xinyong Tao Yujing Liu college of Materials science and engineering Zhejiang University of TechnologyHangzhou 310014China college of Mechanical and Energy engineering Zhejiang University of Science and TechnologyHangzhou 310014China

Lithium(Li)metal anodes(LMAs)have garnered significant attention as a potential solution for developing high-energy density batteries,given their theoretical specific capacity and redox potential.However,safety concerns and internal cycling stability issues originated from uncontrollable Li dendrite growth have impeded the practical application of LMAs.Probing the interface between Li metal and electrolyte is a crucial process that offers valuable insights into the characteristics and regularity of primary circular reactions.To illustrate the intrinsic characteristic of Li metal batteries(LMBs)in spatial and temporal,it is imperative to employ electron microscopes to characterize the structural components distribution of Li with atomic resolution.This paper summarizes the progress in the characterization and analysis of the interfaces in LMBs with electron microscopes based on the principles of electron-matter interactions.Finally,future trends and the potential of electron microscopes are also discussed to advance our understanding of LMBs.

关键词： Li metal anode Electron microscopy Visualization High-resolution Battery

Spherical Bi_(2)O_(3)/ATO catalyst with N_(2)pre-reduction electrocatalytic reduction of CO_(2)to formic acid

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Journal of Environmental sciences 2024年第6期140卷 331-340页

作者： Junying Yi Yuli Chen Dongze Lai Bihong Lv Xiaomin Wu Guohua Jing Department of Environmental science&engineering College of Chemical EngineeringHuaqiao UniversityXiamenFujian 361021China

To achieve carbon neutrality,the Chinese government needs to gain a comprehensive understanding of the sources and drivers of greenhouse gas(GHG)emissions,particularly at the county level.Anji County in eastern China is a typical example of an industrial transformation from quarrying to a low-carbon economy.This study analyzed the decoupling types and structural characteristics of GHG emissions and the driving factors of carbon dioxide(CO_(2))emissions in the Anji from 2006 to 2019,and explored the differences between countylevel and provincial-level or city-level results.It was observed that energy-related activities are the main source of GHG emissions in Anji and that economic development is the driving factor behind the increasing CO_(2)emissions.However,industrial transformation and upgradation coupled with the alternative use of clean energy limit the growth of GHG emissions.This study details the GHG emissions of county during the industrial transformation stage and provides corresponding policy recommendations for county governments.

关键词： N_(2)prereduction CO_(2)electroreduction Bi_(2)O_(3)/ATO catalyst Formate

A projected Newton algorithm based on chemically allowed interval for chemical equilibrium computations

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Frontiers of Chemical science and engineering 2024年第3期18卷 25-37页

作者： Hongbin Lu Shaohui Tao Xiaoyan Sun Li Xia Shuguang Xiang Institute of Process Systems engineering College of Chemical EngineeringQingdao University of Science and TechnologyQingdao266042China

The chemical equilibrium equations utilized in reactive transport modeling are complex and nonlinear,and are typically solved using the Newton-Raphson method.Although this algorithm is known for its quadratic convergence near the solution,it is less effective far from the solution,especially for ill-conditioned problems.In such cases,the algorithm may fail to converge or require excessive iterations.To address these limitations,a projected Newton method is introduced to incorporate the concept of projection.This method constrains the Newton step by utilizing a chemically allowed interval that generates feasible descending iterations.Moreover,we utilize the positive continuous fraction method as a preconditioning technique,providing reliable initial values for solving the algorithms.The numerical results are compared with those derived using the regular Newton-Raphson method,the Newton-Raphson method based on chemically allowed interval updating rules,and the bounded variable least squares method in six different test cases.The numerical results highlight the robustness and efficacy of the proposed algorithm.

关键词： chemical equilibrium reactive transport modeling numerical methods projected Newton method

Defects and morphology engineering for constructing V_(5)-Ni_(3)S_(2)@Vs-Cu_(2)S nanotube heterojunction arrays toward efficient bifunctional electrocatalyst for overall water splitting

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Journal of Energy Chemistry 2024年第7期94卷 29-40页

作者： Wenyuan Sun Alan Meng Lei Wang Guicun Li Jinfeng Cui Yongkai Sun Zhenjiang Li college of Materials science and engineering Qingdao University of Science and TechnologyQingdao 266042ShandongChina Key Laboratory of Optic-electric Sensing and Analytical Chemistryfor Life science MOE College of Chemistry and Molecular EngineeringQingdao Universityof Science and TechnologyQingdao 266042ShandongChina college of Environment and Safety engineering Qingdao University of Science and TechnologyQingdao 266042ShandongChina Qingdao Huanghai University Qingdao 266000ShandongChina college of Electromechanical engineering Qingdao University of Science and TechnologyQingdao 266061ShandongChina

The development of highly active,stable and inexpensive electrocatalysts for hydrogen production by defects and morphology engineering remains a great challenge.Herein,S vacancies-rich Ni_(3)S_(2)@Cu_(2)S nan-otube heterojunction arrays were in-situ grown on copper foam(V_(5)-Ni_(3)S_(2)@Vs-Cu_(2)S NHAs/CF)for efficient electrocatalytic overall water splitting.With the merits of nanotube arrays and efficient electronic mod-ulation drived by the OD vacancy defect and 2D heterojunction defect,the resultant V_(5)-Ni_(3)S_(2)@Vs-Cu_(2)S NHAs/CF electrocatalyst exhibits excellent electrocatalytic activity with a low overpotential of 47 mV for the hydrogen evolution reaction(HER)at 10 mA cm^(-2) current density,and 263 mV for the oxygen evolution reaction(OER)at 50 mA cm^(-2) current density,as well as a cell voltage of 1.48 V at 10 mA cm^(-2).Moreover,the nanotube heterojunction arrays endows V_(5)-Ni_(3)S_(2)@Vs-Cu_(2)S NHAs/CF with outstanding stability in long-term catalytic processes,as confirmed by the continuous chronopotentiom-etry tests at current densities of 10 mA cm^(-2) for 100 h.

关键词： Nanotubearrays Heterojunction Vacancy Bifunctional electrocatalyst Overall water splitting

Drug-Target Interactions Prediction Based on Signed Heterogeneous Graph Neural Networks

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Chinese Journal of Electronics 2024年第1期33卷 231-244页

作者： Ming CHEN Yajian JIANG Xiujuan LEI Yi PAN Chunyan JI Wei JIANG college of Information science and engineering Hunan Normal University School of Computer science Shaanxi Normal University Faculty of Computer science and Control engineering Shenzhen Institute of Advanced TechnologyChinese Academy of Sciences Computer science Department BNU-HKBU United International College

Drug-target interactions(DTIs) prediction plays an important role in the process of drug discovery.Most computational methods treat it as a binary prediction problem, determining whether there are connections between drugs and targets while ignoring relational types information. Considering the positive or negative effects of DTIs will facilitate the study on comprehensive mechanisms of multiple drugs on a common target, in this work, we model DTIs on signed heterogeneous networks, through categorizing interaction patterns of DTIs and additionally extracting interactions within drug pairs and target protein pairs. We propose signed heterogeneous graph neural networks(SHGNNs), further put forward an end-to-end framework for signed DTIs prediction, called SHGNN-DTI,which not only adapts to signed bipartite networks, but also could naturally incorporate auxiliary information from drug-drug interactions(DDIs) and protein-protein interactions(PPIs). For the framework, we solve the message passing and aggregation problem on signed DTI networks, and consider different training modes on the whole networks consisting of DTIs, DDIs and PPIs. Experiments are conducted on two datasets extracted from Drug Bank and related databases, under different settings of initial inputs, embedding dimensions and training modes. The prediction results show excellent performance in terms of metric indicators, and the feasibility is further verified by the case study with two drugs on breast cancer.

关键词： Drug-target interactions Signed heterogeneous network Link sign prediction Graph neural networks

In-situ construction of abundant active centers on hierarchically porous carbon electrode toward high-performance phosphate electrosorption: Synergistic effect of electric field and capture sites

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Green Energy & Environment 2024年第1期9卷 126-137页

作者： Peng Zhang Fukuan Li Mingming He Silu Huo Xueli Zhang Benqiang Cen Dezhi Fang Kexun Li Hao Wang college of Environmental science and engineering Nankai UniversityTianjin300350China MOE Key Laboratory of Pollution Processes and Environmental Criteria Tianjin Key Laboratory of Environmental Remediation and Pollution ControlTianjin Key Laboratory of Environmental Technology for Complex Trans-Media PollutionNankai UniversityTianjin300350China State Key Laboratory of Simulation and Regulation of water Cycles in River Basins China Institute of Water Resources and Hydropower ResearchBeijing100038China

Phosphate removal is crucial for eutrophication control and water quality improvement.Electro-assisted adsorption,an eco-friendly elec-trosorption process,exhibited a promising potential for wastewater treatment.However,there are few works focused on phosphate electro-sorption,and reported electrodes cannot attach satisfactory removal capacities and rates.Herein,electro-assisted adsorption of phosphate via in-situ construction of La active centers on hierarchically porous carbon(LaPC)has been originally demonstrated.The resulted LaPC composite not only possessed a hierarchically porous structure with uniformly dispersed La active sites,but also provided good conductivity for interfacial electron transfer.The LaPC electrode achieved an ultrahigh phosphate electrosorption capability of 462.01 mg g^(-1) at 1 V,outperforming most existing electrodes.The superior phosphate removal performance originates from abundant active centers formed by the coupling of electricﬁeld and capture sites.Besides,the stability and selectivity toward phosphate capture were maintained well even under comprehensive conditions.Moreover,a series of kinetics and isotherms models were employed to validate the electrosorption process.This work demonstrates a deep understanding and promotes a new level of phosphate electrosorption.

关键词： Electro-assisted adsorption Electrosorption Phosphate removal Active centers MOF-derived carbon

Nanotechnology approaches towards biodeterioration-resistant wood:A review

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Journal of Bioresources and Bioproducts 2024年第1期9卷 3-26页

作者： Ayyoob Arpanaei Qiliang Fu Tripti Singh Scion Private Bag 3020Rotorua 3046New Zealand Co-Innovation Center of Efficient Processing and Utilization of Forest resources College of Materials Science and EngineeringNanjing Forestry UniversityNanjing 210037China

Wood can be a suitable alternative to energy-intensive materials in various applications.Nev-ertheless,its susceptibility to weathering and decay has significantly hindered the broad adop-tion of the most commercially significant wood species.While current solutions do tackle certain challenges,they often come with disadvantages like high costs,environmental risks,and/or in-efficiencies.Nanotechnology-based methods can be employed to mitigate these weaknesses and create durable,sustainable wood materials.In this review,we delve into cutting-edge advance-ments in the development of biodeterioration-resistant wood through innovative nanotechnol-ogy approaches.These methods usually involve the application of nanomaterials,either pos-sessing biocidal properties or serving as carriers for biocides.We systematically describe these approaches and compare them to conventional wood modification methods.Additionally,this re-view provides a brief overview of the prevalent biodeteriorating organisms and their mechanisms of action,which notably impact the development and choice of a suitable strategy for wood mod-ification/treatment.Given the requirements of biodeteriorating organisms for growth and wood degradation,it is expected that the new nanotechnology-based approaches to enhance wood dura-bility may provide innovative broad-spectrum biocidal nanosystems.These systems can simulta-neously induce alterations in the physicochemical properties of wood,thereby constraining the availability of the growth requirements.These alterations can efficiently inhibit the biodeterio-ration process by decreasing water absorption,restricting access to the wood components,and reducing void spaces within the wood structure.Finally,this review highlights the new oppor-tunities,challenges,and perspectives of nanotechnology methods for biodeterioration-resistant wood,through which some techno-economic,environmental and safety aspects associated with these methods are addressed.

关键词： Wood durability Decay Wood modification Biodeterioration mechanisms Biocides Wood nanotechnology

APF-GAN:Exploring asymmetric pre-training and fine-tuning strategy for conditional generative adversarial network

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Computational Visual Media 2024年第1期10卷 187-192页

作者： Yuxuan Li Lingfeng Yang Xiang Li college of Computer science Nankai UniversityTianjinChina School of Computer science and engineering Nanjing University of Science and TechnologyNanjingChina

The use of generative adversarial network(GAN)-based models for the conditional generation of image semantic segmentation has shown promising results in recent years.However,there are still some limitations,including limited diversity of image style,distortion of detailed texture,unbalanced color tone,and lengthy training time.To address these issues,we propose an asymmetric pre-training and fine-tuning(APF)-GAN model.

关键词： tuning network asymmetric

RuO_(2)/TiO_(2)/MXene with multi-heterojunctions coating on carbon cloth for high-activity chlorine evolution reaction at large current densities

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Nano Research 2024年第6期17卷 4764-4772页

作者： Yuhao Duan Liuxu Wei Chenyu Cai Junbao Mi Fuyuan Cao Jiaze Chen Xiaolong Li Xiujiang Pang Bin Li Lei Wang Key Laboratory of Eco-chemical engineering Ministry of EducationInternational Science and Technology Cooperation Base of Eco-chemical Engineering and Green ManufacturingCollege of Chemistry and Molecular EngineeringQingdao University of Science and TechnologyQingdao 266042China college of Materials science and engineering Qingdao University of Science and TechnologyQingdao 266042China college of Environment and Safety engineering Qingdao University of Science and TechnologyQingdao 266042China

The chlorine evolution reaction(CER)is a crucial step in the production of chlorine gas and active chlorine by chlor-alkali electrolysis.Currently,the endeavor to fabricate electrodes capable of yielding high current density at minimal overpotential remains a central challenge in advancing the realm of chlorine evolution reactions.Here,we grow TiO_(2)and RuO_(2)on MXene@carbon cloth(CC)through the favorable affinity and induced deposition effect between the surface functional groups of MXene and the metal.A self-supported electrode(RuTiO_(2)/MXene@CC)with strong binding at the electrocatalyst-support interface and weak adhesion at electrocatalyst-bubble interface is constructed.The RuTiO_(2)/MXene@CC can reduce the electron density of RuO_(2)by regulating the electron redistribution at the heterogeneous interface,thus enhancing the adsorption of Cl−.RuTiO_(2)/MXene@CC could achieve a high current density of 1000 mA·cm^(−2)at a small overpotential of 220 mV,superior to commercial dimensionally stable anodes(DSA).This study provides a new strategy for constructing efficient CER catalysts at high current density.

关键词： chlorine evolution reaction high current density MXene TiO_(2) RuO_(2)