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Emerging two-dimensional Mo-based materials for rechargeable metal-ion batteries:Advances and perspectives

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Journal of Energy chemistry 2024年第2期89卷 487-518,I0012页

作者： Qingqing Ruan Yuehua Qian Mengda Xue Lingyun Chen Qichun Zhang department of Applied chemistry School of Chemistry and Chemical EngineeringChongqing UniversityChongqing 401331China department of materials science and engineering City University of Hong Kong999077Hong KongChina

With the rapid development of rechargeable metal-ion batteries(MIBs)with safety,stability and high energy density,significant efforts have been devoted to exploring high-performance electrode *** recent years,two-dimensional(2D)molybdenum-based(Mo-based)materials have drawn considerable attention due to their exceptional characteristics,including low cost,unique crystal structure,high theoretical capacity and controllable chemical ***,like other transition metal compounds,Mo-based materials are facing thorny challenges to overcome,such as slow electron/ion transfer kinetics and substantial volume changes during the charge and discharge *** this review,we summarize the recent progress in developing emerging 2D Mo-based electrode materials for MIBs,encompassing oxides,sulfides,selenides,*** introducing the crystal structure and common synthesis methods,this review sheds light on the charge storage mechanism of several 2D Mo-based materials by various advanced characterization *** latest achievements in utilizing 2D Mo-based materials as electrode materials for various MIBs(including lithium-ion batteries(LIBs),sodium-ion batteries(SIBs)and zinc-ion batteries(ZIBs))are discussed in ***,the modulation strategies for enhancing the electrochemical performance of 2D Mo-based materials are highlighted,focusing on heteroatom doping,vacancies creation,composite coupling engineering and nanostructure ***,we present the existing challenges and future research directions for 2D Mo-based materials to realize high-performance energy storage systems.

关键词： Molybdenum-based materials Two-dimensional materials Lithium-ion batteries Sodium-ion batteries Zinc-ion batteries

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Anisotropic mechanical Response of Nacre to Heat Treatment Under Indentation:Effect of Structural Orientation

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Journal of Bionic engineering 2024年第3期21卷 1453-1464页

作者： Simin Liang Yingying Li Hongmei Ji Xiaowu Li department of materials Physics and chemistry School of Materials Science and EngineeringKey Laboratory for Anisotropy and Texture of MaterialsMinistry of EducationNortheastern UniversityShenyang110819China

It is generally considered that heat treatments have a negative impact on the mechanical properties of nacre due to thermal decomposition of the organic ***,the present work investigated the microindentation behavior on fresh and heat-treated nacres from two orthogonal directions,and the results demonstrate that both hardness value and damage tolerance can remain almost unchanged on the cross-section with the organic matrix degeneration,despite a significant deterioration on the platelet *** analyses suggest that the anisotropic response of indentation behavior to heat treatment in nacre is primarily caused by its structural ***,compared with a single layer of irregular interplatelet interfaces in cross-sectional specimens,the multiple layers of parallel interlamellar interfaces in in-plane specimens exhibit a much greater ability to impede indenter-triggered destruction,and heat treatments would reduce the in-plane hardness but nearly have no effect on the cross-sectional ***,the deeper embedding of platelets in cross-sectional specimens enhances their resistance to interface cracking caused by organic matrix degradation at high temperatures,leading to a reduced sensitivity to ***,the indentation behavior of nacre shows different tendencies in response to variations in the organic matrix state along normal and parallel directions.

关键词： Nacre Structural orientation Heat treatment Indentation behavior Organic matrix

“Blocking and rebalance” mechanism-guided design strategies of bimetallic doped 2D a-phosphorus carbide as efficient catalysts for N2 electroreduction

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Journal of Energy chemistry 2024年第10期97卷 68-78页

作者： Cheng He Jianglong Ma Shen Xi Wenxue Zhang State Key Laboratory for mechanical Behavior of materials School of Materials Science and Engineering Xi'an Jiaotong University School of materials science and engineering Chang'an University

Compared to single atom catalysts（SACs）,the introduction of dual atom catalysts（DACs） has a significantly positive effect on improving the efficiency in the electrocatalytic nitrogen reduction reaction（NRR） which provides an environmental alternative to the Haber-Bosch ***,the research on the mechanism and strategy of designing bimetallic combinations for better performance is still in its early ***,based on "blocking and rebalance" mechanism,45 combinations of bimetallic pair doped α-phosphorus carbide（TMATMB@PC） are investigated as efficient NRR catalysts through density functional theory and machine learning *** a multi-step screening,the combinations of TiV,TiFe,MnMo,and FeW exhibit highly efficient catalytic performance with significantly lower limiting potentials（-0.17,-0.18,-0.14,and-0.30 V,respectively）.Excitingly,the limiting potential for CrMo and CrW combinations is 0 V,which are considered to be extremely suitable for the NRR *** mechanism of "blocking and rebalance" is revealed by the exploration of charge transfer for phosphorus atoms in electron blocking ***,the descriptor φ is proposed with machine learning,which provides design strategies and accurate prediction for finding efficient *** work not only offers promising catalysts TMATMB@PC for NRR process but also provides design strategies by presenting the descriptor φ.

关键词： 2D α-phosphorus carbide DACs Inherent attributes Machine learning Nitrogen reduction reaction

Regulation of Lithium-Ion Flux by Nanotopology Lithiophilic Boron-Oxygen Dipole in Solid Polymer Electrolytes for Lithium-Metal Batteries

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Energy & Environmental materials 2024年第4期7卷 74-82页

作者： Manying Cui Hongyang Zhao Yanyang Qin Shishi Zhang Ruxin Zhao Miao Zhang Wei Yu Guoxin Gao Xiaofei Hu Yaqiong Su Kai Xi Shujiang Ding School of chemistry Engineering Research Center of Energy Storage Materials and Devices Ministry of Education State Key Laboratory for Mechanical Behavior of Materials Xi'an Jiaotong University department of materials and Environmental chemistry Stockholm University

Inhomogeneous lithium-ion （Li+） deposition is one of the most crucial problems,which severely deteriorates the performance of solid'State lithium metal batteries （LMBs）.Herein,we discovered that covalent organic framework （COF-1） with periodically arranged boron-oxygen dipole lithiophilic sites could directionally guide Li+even deposition in asymmetric solid polymer electrolytes.

关键词： covalent organic framework ion transport regulation lithium metal battery solid polymer electrolyte

One-step growth of ultrathin CoSe_(2)nanobelts on N-doped MXene nanosheets for dendrite-inhibited and kinetic-accelerated lithium-sulfur chemistry

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science Bulletin 2024年第13期69卷 2059-2070页

作者： Chuanliang Wei Zhengran Wang Peng Wang Xinlu Zhang Xuguang An Jinkui Feng Baojuan Xi Shenglin Xiong School of chemistry and Chemical engineering School of Materials Science and EngineeringShandong UniversityJinan 250100China School of mechanical engineering Chengdu UniversityChengdu 610106China

The practical application of lithium–sulfur(Li–S)batteries is inhibited by the shuttle effect of lithium polysulfides(LiPSs)and slow polysulfide redox kinetics on the S cathode as well as the uncontrollable growth of dendrites on the Li metal ***,both cathode and anode sides must be considered when modifying LiS ***,two-dimensional(2D)ultrathin CoSe_(2)nanobelts are in situ grown on 2D N-doped MXene nanosheets(CoSe_(2)@N-MXene)via one-step solvothermal process for the first *** to its unique 2D/2D structure,CoSe_(2)@N-MXene can be processed to crumpled nanosheets by freeze-drying and flexible and freestanding films by vacuum *** crumpled CoSe_(2)@NMXene nanosheets with abundant active sites and inner spaces can act as S hosts to accelerate polysulfide redox kinetics and suppress the shuttle effect of LiPSs owing to their strong adsorption ability and catalytic conversion effect with ***,the CoSe_(2)@N-MXene film(CoSe_(2)@NMF)can act as a current collector to promote uniform Li deposition because it contains lithiophilic CoSe_(2)and N *** the systematic effect of CoSe_(2)@N-MXene on S cathode and Li metal anode,the electrochemical and safety performance of Li–S batteries are ***_(2)@NMF also shows excellent storage performances in flexible energy storage devices.

关键词： Ultrathin CoSe_(2)nanobelts N-doped MXene nanosheets In situ growth Flexible MXene-based films Li-S batteries

A universal and ultrafast method for fabricating a library of nanocellulose-supported metal nanoparticles

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Progress in Natural science:materials International 2024年第2期34卷 389-395页

作者： Ziyi Luo Xiaoyang Wang Baihua Cui Hao Luo Tao Zhang Jia Ding Yanan Chen Yida Deng Wenbin Hu School of materials science and engineering Tianjin University department of chemistry National University of Singapore State Key Laboratory of Marine Resource Utilization in South China Sea School of Materials Science and Engineering Hainan University

Using nanocatalysts to catalyze water electrolysis for hydrogen production is an ideal solution to address the energy *** most well-adopted fabrication methods for nanocatalysts are tube furnace annealing,Hydrothermal method,etc.,hardly satisfying the trade-off among coarsening,dispersity,and particle size due to mutual ***,a universal,ultrafast and facile cellulose nanometer whiskers-high temperature shock（CNWHTS） method was reported for fabricating a library of ultrafine metal nanoparticles with uniform dispersion and narrow size *** metal-anchor functional groups in CNW（i.e.,-OH and-COOH） and the characteristics of the HTS method for ultrafast heating and powerful quenching synergistically contribute to the successful synthesis of metal *** an initial demonstration,the as-prepared Pt nanocatalyst(η10 mA cm-2=51.8 mV) shows more excellent catalytic hydrogen evolution reaction（HER） performance than the Pt catalyst prepared in the tubular furnace(η10 mA cm-2=169.4 mV).This rapid and universal CNW-HTS method can pave the way for nanomanufacturing to produce high-quality metal nanoparticles,thereby expanding applications of energy conversion and electrocatalysis.

关键词： Electrocatalysis High-temperature shock Hydrogen evolution reaction (HER) Nanocellulose Nanomanufacturing Nanoparticles

Effect of substrate temperature and oxygen plasma treatment on the properties of magnetron-sputtered CdS for solar cell applications

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中国科学技术大学学报 2024年第6期54卷 22-33,I0010页

作者： Runxuan Zang Haolin Wang Xiaoqi Peng Ke Li Yuehao Gu Yizhe Dong Zhihao Yan Zhiyuan Cai Huihui Gao Shuwei Sheng Rongfeng Tang Tao Chen department of materials science and engineering School of Chemistry and Materials ScienceUniversity of Science and Technology of ChinaHefei 230026China

Cadmium sulfide(CdS)is an n-type semiconductor with excellent electrical conductivity that is widely used as an electron transport material(ETM)in solar *** present,numerous methods for preparing CdS thin films have emerged,among which magnetron sputtering(MS)is one of the most commonly used vacuum *** this type of technique,the substrate temperature is one of the key deposition parameters that affects the interfacial properties between the target film and substrate,determining the specific growth habits of the ***,the effect of substrate temperature on the microstructure and electrical properties of magnetron-sputtered CdS(MS-CdS)films was studied and applied for the first time in hydrothermally deposited antimony selenosulfide(Sb_(2)(S,Se)_(3))solar *** the substrate temperature not only results in the design of the flat and dense film with enhanced crystallinity but also leads to the formation of an energy level arrangement with a Sb_(2)(S,Se)_(3)layer that is more favorable for electron *** addition,we developed an oxygen plasma treatment for CdS,reducing the parasitic absorption of the device and resulting in an increase in the short-circuit current density of the solar *** study demonstrates the feasibility of MS-CdS in the fabrication of hydrothermal Sb_(2)(S,Se)_(3)solar cells and provides interface optimization strategies to improve device performance.

关键词： magnetron sputtering CdS substrate heating plasma treatment Sb_(2)(S,Se)_(3) thin film solar cell

Micelle-directed self-assembly of single-crystal-like mesoporous stoichiometric oxides for high-performance lithium storage

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National science Review 2024年第4期11卷 195-205页

作者： Yanhua Wan Changyao Wang Xingmiao Zhang Yang Yin Mengmeng Liu Bing Ma Linlin Duan Yuzhu Ma Wei Zhang Changlin Zheng Dongliang Chao Fei Wang Yongyao Xia Wei Li department of chemistry Laboratory of Advanced Materials Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials State Key Laboratory of Molecular Engineering of Polymers College of Chemistry and Materials ScienceFudan University State Key Laboratory of Surface Physics and department of Physics Fudan University

Due to their uncontrollable assembly and crystallization process,the synthesis of mesoporous metal oxide single crystals remains a formidable ***,we report the synthesis of single-crystal-like mesoporous Li2TiSiO5by using soft micelles as *** key lies in the atomic-scale self-assembly and step-crystallization processes,which ensure the formation of single-crystal-like mesoporous Li2TiSiO5microparticles via an oriented attachment growth mechanism under the confinement of an in-situ formed carbon *** mesoporous Li2TiSiO5anode achieves a superior rate capability(148 mAh g-1at5.0 A g-1) and outstanding long-term cycling stability(138 mAh g-1after 3000 cycles at 2.0 A g-1) for lithium storage as a result of the ultrafast Li+diffusion caused by penetrating mesochannels and nanosized crystal frameworks（5-10 nm）.In comparison,bulk Li2TiSiO5exhibits poor rate capability and cycle performance due to micron-scale diffusion *** method is very simple and reproducible,heralding a new way of designing and synthesizing mesoporous single crystals with controllable frameworks and chemical functionalities.

关键词： mesoporous materials micelles single-crystal-like Li2TiSiO5 lithium-ion batteries

Directly predicting N2 electroreduction reaction free energy using interpretable machine learning with non-DFT calculated features

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Journal of Energy chemistry 2024年第10期97卷 139-148页

作者： Yaqin Zhang Yuhang Wang Ninggui Ma Jun Fan department of materials science and engineering City University of Hong Kong Center for Advanced Nuclear Safety and Sustainable Development City University of Hong Kong department of mechanical engineering City University of Hong Kong

Electrocatalytic nitrogen reduction to ammonia has garnered significant attention with the blooming of single-atom catalysts（SACs）,showcasing their potential for sustainable and energy-efficient ammonia ***,cost-effectively designing and screening efficient electrocatalysts remains a *** this study,we have successfully established interpretable machine learning（ML） models to evaluate the catalytic activity of SACs by directly and accurately predicting reaction Gibbs free *** models were trained using non-density functional theory（DFT） calculated features from a dataset comprising 90 graphene-supported *** results underscore the superior prediction accuracy of the gradient boosting regression（GBR） model for both Δg（N2→NNH） and ΔG（NH2→NH3）,boasting coefficient of determination（R2） score of 0.972 and 0.984,along with root mean square error（RMSE） of 0.051 and 0.085 eV,***,feature importance analysis elucidates that the high accuracy of GBR model stems from its adept capture of characteristics pertinent to the active center and coordination environment,unveilling the significance of elementary descriptors,with the colvalent radius playing a dominant ***,Shapley additive explanations（SHAP） analysis provides global and local interpretation of the working mechanism of the GBR *** analysis identifies that a pyrrole-type coordination（flag=0）,d-orbitals with a moderate occupation（Nd=5）,and a moderate difference in covalent radius(rTM-avenear 140 pm) are conducive to achieving high ***,we extend the prediction of activity to more catalysts without additional DFT calculations,validating the reliability of our feature engineering,model training,and design *** findings not only highlight new opportunity for accelerating catalyst design using non-DFT calculated features,but also shed light on the working mechanism of "black box" ML ***,the model provides valuable guidanc

关键词： Graphene Interpretable machine learning Nitrogen reduction Non-DFT features Single-atom catalyst