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Crystalline-amorphous M@MN_x(M=Co,Fe,Ni)encapsulated in nitrogen-doped carbon for enhanced efficient and durable hydrogen evolution reaction

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Rare Metals 2024年第4期43卷 1547-1556页

作者： Yang Yang Xiao-Chuan Duan Shao-Hui Guo Xian-Ming Zhang College of Materials Science and Engineering College of ChemistryKey Laboratory of Interface Science and Engineering in Advanced MaterialsTaiyuan University of TechnologyYuci030600China

Developing earth-abundant electrocatalysts for hydrogen evolution reaction(HER)is important for the sustainable energy ***,efficient and stable heterocatalysts consisting of crystalline-amorphous M@MN_(x)(M=Co,Fe,Ni)encapsulated in N-doped carbon layers supported with N-doped graphene sheets(denoted as M@MN_(x)@NC-NG)are synthesized by facile hydrothermal reaction and nitridation *** the nitriding process,metal ions in M(tzbc)_2(H_(2)O)_4(tzbc=4-(1H-1,2,4-triazol-1-yl)benzoic acid)complexes are reduced to crystalline M cores,accompanied by the formation of amorphous MN_(x)shells;the tzbc ligands are insitu carbonized to form outermost N-doped carbon(NC)layers that connect with inner MN_(x)via M-N-C motifs inherited from the complex precursors and inhibit the transition of MN_(x)from amorphous to crystalline *** Co@CoN_(x)@NC-NG catalyst exhibits excellent HER activity with small overpotentials of 45 and 64 mV at a cathode current density of 10 mA·cm^(-2)and low Tafel slopes of 40 and 85 mV·dec^(-1)in 0.5 mol·L^(-1)H_(2)SO_4 and1.0 mol·L^(-1)KOH electrolytes,*** Co@CoN_(x)@NC-NG retains 97%of the initial overpotential after 100,000 s in both acidic and alkaline *** outstanding HER performance originates from the crystalline-amorphous Co@CoN_(x)that redistributes electrons around the heterointerfaces,facilitating the conversion process of H^(+)/H_(2)O to hydrogen and thereby promoting HER *** outermost NC layers serve as the armor of Co@CoN_(x),and graphene nanosheets act as carriers of egg-like Co@CoN_(x)@NC and conduction paths for electron shuttles,ensuring stable and continuous electrocatalytic hydrogen production.

关键词： Hydrogen evolution reaction Electrocatalysts Iron group metals Heterojunction Crystalline-amorphous structure

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Electronic structure engineering of transition metal dichalcogenides for boosting hydrogen energy conversion electrocatalysts

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Chinese Physics B 2024年第9期33卷 13-28页

作者： Bing Hao Jingjing Guo Peizhi Liu Junjie Guo Key Laboratory of Interface Science and Engineering in Advanced Materials Ministry of EducationTaiyuan University of TechnologyTaiyuan 030024China

Electrocatalytic water splitting for hydrogen production is an appealing strategy to reduce carbon emissions and generate renewable *** promising process,however,is limited by its sluggish reaction kinetics and high-cost *** two-dimensional(2D)transition metal dichalcogenides(TMDCs)have presented great potential as electrocatalytic materials due to their tunable bandgaps,abundant defective active sites,and good chemical ***,phase engineering,defect engineering and interface engineering have been adopted to manipulate the electronic structure of TMDCs for boosting their exceptional catalytic ***,it is essential to clarify the local structure of catalytically active sites of TMDCs and their structural evolution in catalytic reactions using atomic resolution electron microscopy and the booming in situ technologies,which is beneficial for exploring the underlying reaction *** this review,the growth regulation,characterization,particularly atomic configurations of active sites in TMDCs are *** significant role of electron microscopy in the understanding of the growth mechanism,the controlled synthesis and functional optimization of 2D TMDCs are *** review will shed light on the design and synthesis of novel electrocatalysts with high performance,as well as prompt the application of advanced electron microscopy in the research of materials science.

关键词： TMDCs STEM hydrogen energy conversion active site identification

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Enhanced corrosion resistance of epoxy resin coating via addition of CeO_(2) and benzotriazole

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Chinese Journal of Chemical engineering 2024年第3期67卷 89-96页

作者： Xu Han Ruijie Guo Baolong Niu Hong Yan College of Materials Science and Engineering Taiyuan University of TechnologyTaiyuan 030024China Key Laboratory of Interface Science and Engineering in Advanced Materials Ministry of EducationTaiyuan University of TechnologyTaiyuan 030024China

The use of fillers to enhance the corrosion protection of epoxy resins has been widely *** this work,cerium dioxide(CeO_(2))and benzotriazole(BTA)were introduced into an epoxy resin to enhance the corrosion resistance of Q235 carbon *** electron microscopy results indicated that the CeO_(2) grains were rod-like and ellipsoidal in shape,and the distribution pattern of BTA was analyzed by energy dispersive *** dynamic potential polarization curve proved the excellent corrosion resistance of the composite epoxy resin with CeO_(2) and BTA co-addition,and electrochemical impedance spectroscopy test analysis indicated the significantly enhanced long-term corrosion protection performance of the composite *** the optimal protective performance was provided by the coating containing 0.3%(mass)CeO_(2) and 20%(mass)BTA,which was attributed to the barrier performance of CeO_(2) particles and the chemical barrier effect of *** formation of corrosion products was analyzed using X-ray *** addition,the corrosion resistance mechanism of the coating was also discussed in detail.

关键词： Benzotriazole Cerium dioxide Corrosion resistance Carbon steel Epoxy resin coating Preparation

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Plastic deformation mechanism of γ-phase U–Mo alloy studied by molecular dynamics simulations

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Chinese Physics B 2025年第1期34卷 468-475页

作者： Chang Wang Peng Peng Wen-Sheng Lai Key Laboratory of Advanced Materials(MOE) School of Materials Science and EngineeringTsinghua UniversityBeijing 100084China

Uranium–molybdenum(U–Mo) alloys are critical for nuclear power generation and propulsion because of their superior thermal conductivity, irradiation stability, and anti-swelling properties. This study explores the plastic deformation mechanisms of γ-phase U–Mo alloys using molecular dynamics(MD) simulations. In the slip model, the generalized stacking fault energy(GSFE) and the modified Peierls–Nabarro(P–N) model are used to determine the competitive relationships among different slip systems. In the twinning model, the generalized plane fault energy(GPFE) is assessed to evaluate the competition between slip and twinning. The findings reveal that among the three slip systems, the {110}<111>slip system is preferentially activated, while in the {112}<111> system, twinning is favored over slip, as confirmed by MD tensile simulations conducted in various directions. Additionally, the impact of Mo content on deformation behavior is emphasized. Insights are provided for optimizing process conditions to avoid γ → α′′ transitions, thereby maintaining a higher proportion of γ-phase U–Mo alloys for practical applications.

关键词： U-Mo alloy molecular dynamics simulation plastic deformation mechanism dislocation slip twin formation

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Pushing working voltage of nickel-rich cathode to 4.6 V by stabilizing lattice oxygen redox via spinel Li_(4)Mn_5O_(12)coating

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Journal of Energy Chemistry 2025年第4期103卷 692-702页

作者： Yunting Wang Gaohui Du Di Han Jiahao Deng Weihao Shi Huayu Li Yongle Wang Siyao Wang Zhan Gao Youqing Wang Shixian Chen Wenqi Zhao Qingmei Su Bingshe Xu Materials Institute of Atomic and Molecular Science Shaanxi University of Science and TechnologyXi’an 710021ShaanxiChina Shanxi-Zheda Institute of Advanced Materials and Chemical Engineering Taiyuan 030024ShanxiChina Key Laboratory of Interface Science and Engineering in Advanced Materials Taiyuan University of TechnologyTaiyuan 030024ShanxiChina

Augmenting the working voltage is an effective way to maximize the energy density of Ni-rich layered Li[Ni_(0.8)Co_(0.1)Mn_(0.1)]O_(2)(NCM)to approach its theoretical ***,NCM suffers from structural degradation in deep delithiation state,which is often accompanied by severe surface lattice oxygen loss and transition metal dissolution,leading to restricted cycle ***,a facile and effective surfacestrengthening strategy is proposed,in which Mn(OH)_(2)nanoshells are uniformly grown on the NCM surface as a Li~+capturer and then converted to thin spinel Li_(4)Mn_(5)O_(12)layers during subsequent hightemperature *** resultant Li_(4)Mn_(5)O_(12)layers can enhance cathode-electrolyte interface electrochemical stability with inhibited electrolyte corrosion and accelerated Li~+*** theoretical calculations confirms that the Mn-O bonds formed at the interfaces can effectively decrease the oxygen activity,thereby further inhibiting the lattice oxygen release and structural degradation caused by the irreversible phase ***,the Li_(4)Mn_(5)O_(12)-coated NCM displays high capacity retention of 80.3%and 94.9%at 1 C and 5 C compared to the pristine NCM(52.5%and 10.1%)after 200 cycles and can operate stably at 2.7-4.6 V and 60℃.The spinel Li_(4)Mn_(5)O_(12)-coating demonstrates an effective route to enhance the structural/electrochemical stability of NCM for next-generation advanced lithium-ion batteries.

关键词： Ni-rich cathode Interfacial stability Li_(4)Mn_5O_(12)coating High voltage stability

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Temperature-sensitive Micelles as Artificial Chaperones for Insulin Protection

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Chinese Journal of Polymer science 2025年第2期43卷 350-359页

作者： Jia-Wen Chen Yan Xiao Mei-Dong Lang Shanghai Key Laboratory of Advanced Polymeric Materials Key Laboratory for Ultrafine Materials of Ministry of EducationSchool of Materials Science and EngineeringEast China University of Science and TechnologyShanghai200237China

Insulin is an essential and versatile protein taking part in the control of blood glucose levels and protein ***,under prolonged storage or high temperature stress,insulin tends to unfold and aggregate into toxic amyloid fibrils,leading to loss of physiological *** by natural chaperones,a series of temperature-sensitive polycaprolactone-based micelles were designed to prevent insulin from *** micelles were fabricated through the self-assembly of amphiphilic copolymers of methoxy poly(ethylene glycol)-poly(4-diethylformamide caprolactone-co-caprolactone)(mPEG_(17)-P(DECL-co-CL)),which had a regular spherical morphology with particle sizes of about 100 *** addition,the lower critical solution temperature(LCST)of the micelles could be tuned to 9 and 29℃by changing the ratio of DECL to *** from the temperature-sensitivity of DECL segment,the binding ability of micelles to insulin could be modulated by changing the *** LCST,micelles effectively inhibited insulin aggregation and protected it from thermal inactivation due to the strong binding ability between the hydrophobic segment DECL and *** LCST,DECL segment returned to hydrophilic and bound weakly with insulin,leading to the release of insulin and assisting in its recovery of secondary ***,these temperature-sensitive micelles provided an effective strategy for insulin protection.

关键词： Temperature-sensitive Insulin Micelles Chaperones

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Preparation of silver nanoparticles through the reduction of straw-extracted lignin and its antibacterial hydrogel

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International Journal of Minerals,Metallurgy and materials 2025年第2期32卷 504-514页

作者： Lou Zhang Shuo Li Fu Tang Jingkai Zhang Yuetong Kang Hean Zhang Lidong Li State Key Laboratory for Advanced Metals and Materials School of Materials Science and EngineeringUniversity of Science and Technology BeijingBeijing 100083China

Silver nanoparticles(Ag NPs)have attracted attention in the field of biomaterials due to their excellent antibacterial ***,the reducing and stabilizing agents used for the chemical reduction of Ag NPs are usually toxic and may cause water *** this work,Ag NPs(31.2 nm in diameter)were prepared using the extract of straw,an agricultural waste,as the reducing and stabilizing *** analysis revealed that the straw extract contained lignin,the structure of which possesses phenolic hydroxyl and methoxy groups that facilitate the reduction of silver salts into Ag *** surfaces of Ag NPs were negatively charged due to the encapsulation of a thin layer of lignin molecules that prevented their *** the prepared Ag NPs were added to the precursor solution of acrylamide,free radical polymerization was triggered without the need for extra heating or light irradiation,resulting in the rapid formation of an Ag NP-polyacrylamide composite *** inhibition zone test proved that the composite hydrogel possessed excellent antibacterial ability due to the presence of Ag *** prepared hydrogel may have potential applications in the fabrication of biomedical materials,such as antibacterial dressings.

关键词： silver nanoparticles hydrogel straw extraction antibacterial

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Temperature fields prediction for the casting process by a conditional diffusion model

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China Foundry 2025年第2期22卷 139-150页

作者： Jin-wu Kang Jing-xi Zhu Qi-chao Zhao School of Materials Science and Engineering Key Laboratory for Advanced Materials Processing TechnologyTsinghua UniversityBeijing 100084China

Deep learning has achieved great progress in image recognition,segmentation,semantic recognition and game *** this study,a latest deep learning model,a conditional diffusion model was adopted as a surrogate model to predict the heat transfer during the casting process instead of numerical *** conditional diffusion model was established and trained with the geometry shapes,initial temperature fields and temperature fields at t_(i) as the condition and random noise sampled from standard normal distribution as the *** output was the temperature field at t_(i+1).Therefore,the temperature field at t_(i+1)can be predicted as the temperature field at t_(i) is known,and the continuous temperature fields of all the time steps can be predicted based on the initial temperature field of an arbitrary 2D geometry.A training set with 3022D shapes and their simulated temperature fields at different time steps was *** accuracy for the temperature field for a single time step reaches 97.7%,and that for continuous time steps reaches 69.1%with the main error actually existing in the sand *** effect of geometry shape and initial temperature field on the prediction accuracy was investigated,the former achieves better result than the latter because the former can identify casting,mold and chill by different colors in the input *** diffusion model has proved the potential as a surrogate model for numerical simulation of the casting process.

关键词： diffusion model U-Net casting simulation heat transfer

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Sulfur doping and oxygen vacancy in In_(2)O_(3) nanotube co-regulate intermediates of CO_(2) electroreduction for efficient HCOOH production and rechargeable Zn-CO_(2) battery

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Journal of Energy Chemistry 2025年第2期101卷 474-484,I0010页

作者： Yu Li Zhengrong Xu Quanxin Guo Qin Li Rui Liu Key Laboratory of Advanced Civil Engineering Materials of Ministry of Education School of Materials Science and EngineeringTongji UniversityShanghai 201804China

By manipulating the distribution of surface electrons,defect engineering enables effective control over the adsorption energy between adsorbates and active sites in the CO_(2)reduction reaction(CO_(2)RR).Herein,we report a hollow indium oxide nanotube containing both oxygen vacancy and sulfur doping(V_o-Sx-In_(2)O_(3))for improved CO_(2)-to-HCOOH electroreduction and Zn-CO_(2)*** componential synergy significantly reduces the*OCHO formation barrier to expedite protonation process and creates a favorable electronic micro-environment for*HCOOH *** a result,the CO_(2)RR performance of Vo-Sx-In_(2)O_(3)outperforms Pure-In_(2)O_(3)and V_o-In_(2)O_(3),where V_o-S53-In_(2)O_(3)exhibits a maximal HCOOH Faradaic efficiency of 92.4%at-1,2 V *** hydrogen electrode(RHE)in H-cell and above 92%over a wide window potential with high current density(119.1 mA cm^(-2)at-1.1 V ***)in flow ***,the rechargeable Zn-CO_(2)battery utilizing V_o-S53-In_(2)O_(3)as cathode shows a high power density of 2.29 mW cm^(-2)and a long-term stability during charge-discharge *** work provides a valuable perspective to elucidate co-defective catalysts in regulating the intermediates for efficient CO_(2)RR.

关键词： CO_(2)electroreduction Oxygen vacancy Sulfur doping In_(2)0_(3) Intermediate Zn-CO_(2)battery

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A Biomimetic Cement-Based Solid-State Electrolyte with Both High Strength and Ionic Conductivity for Self-Energy-Storage Buildings

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Research 2025年第1期2024卷 181-192页

作者： Wei Lin Jiarui Xing Yang Zhou Long Pan Li Yang Yuan Zhang Xiong Xiong Liu Chenchen Xiong Weihuan Li ZhengMing Sun Jiangsu Key Laboratory of Construction Materials School of Materials Science and EngineeringSoutheast UniversityNanjing 211189China Key Laboratory of Advanced Metallic Materials of Jiangsu Province School of MaterialsScience and EngineeringSoutheast UniversityNanjing 211189China

Cement-based materials are the foundation of modern buildings but suffer from intensive energy *** cement-based materials for efficient energy storage is one of the most promising strategies for realizing zero-energy ***,cement-based materials encounter challenges in achieving excellent electrochemical performance without compromising mechanical ***,we introduce a biomimetic cement-based solid-state electrolyte(labeled as l-CPSSE)with artificially organized layered microstructures by proposing an in situ ice-templating strategy upon the cement hydration,in which the layered micropores are further filled with fast-ion-conducting hydrogels and serve as ion diffusion *** these merits,the obtained l-CPSSE not only presents marked specific bending and compressive strength(2.2 and 1.2 times that of traditional cement,respectively)but also exhibits excellent ionic conductivity(27.8 mS·cm^(-1)),overwhelming most previously reported cement-based and hydrogel-based *** a proof-of-concept demonstration,we assemble the l-CPSSE electrolytes with cement-based electrodes to achieve all-cement-based solid-state energy storage devices,delivering an outstanding full-cell specific capacity of 72.2 mF·cm^(-2).More importantly,a 5×5 cm^(2) sized building model is successfully fabricated and operated by connecting 4 l-CPSSE-based full cells in series,showcasing its great potential in self-energy-storage *** work provides a general methodology for preparing revolutionary cement-based electrolytes and may pave the way for achieving zero-carbon buildings.

关键词： artificially organized layered efficient energy storage high strength ionic conductivity electrochemical performance self energy storage buildings cement based materials energy consumption

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