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Unraveling the impacts of intermolecular interaction on morphology evolution for highly efficient organic solar cells and modules

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Science China Chemistry 2025年第1期68卷 264-272页

作者： Xueqing Ma Yingying Cheng Yuqiang Liu Xinming Zheng Guangliu Ran Hongxiang Li Xinyue Cui Andong Zhang Wenkai Zhang Pei Cheng Wenchao Huang Zhishan Bo Beijing Key Laboratory of Energy Conversion and Storage Materials College of ChemistryBeijing Normal UniversityBeijing 100875China College of Textiles and Clothing State Key Laboratory of Bio-fibers and Eco-textilesQingdao UniversityQingdao 266071China Key State Laboratory of Advanced Technology for Materials Synthesis and Processing School of Materials Science and EngineeringWuhan University of TechnologyWuhan 430070China Department of Physics and Applied Optics Beijing Area Major Laboratory Center for Advanced Quantum StudiesBeijing Normal UniversityBeijing 100875China State Key Laboratory of Polymer Materials Engineering College of Polymer Science and EngineeringSichuan UniversityChengdu 610065China

Understanding the effect of intermolecular interaction on the growth dynamic of active layers is critical for advancing organic solar cells(OSCs).However,the diverse structure of donors and acceptors makes the research *** with customizable structures and properties could simplify this ***,we meticulously tailor two additives of 3,4-ethylenedioxythiophene(EDOT)and 2,5-dibromo-3,4-ethylenedioxythiophene(DBEDOT),possessing distinct intermolecular interaction features to elaborate the inherent *** is found that varied interaction strengths can alter film formation *** enhanced intermolecular interaction between the DBEDOT and non-fullerene acceptor BTP-e C9-4F results in pre-aggregation and longer crystallization duration of BTP-e C9-4F,facilitating the formation of films with compact molecular packing and decent phase ***,exciton dissociation and charge transport become more ***,devices processed with DBEDOT exhibit a remarkable power conversion efficiency of 19.35%in small-area OSCs and 14.11%in bladecoated 5 cm×5 cm organic solar ***,OSCs can maintain 80%of their initial efficiency after continuous annealing at 85℃for over 2,100 h.

关键词： organic solar cell non-fullerene acceptor film growth molecular packing intermolecular interaction

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Accelerated ion/electron transport kinetics and increased active sites via local internal electric fields in heterostructured VO_(2)–carbon cloth for enhanced zinc-ion storage

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Nano Research 2023年第1期16卷 503-512页

作者： Ping Luo Wenwei Zhang Wanyue Cai Zhen Huang Gangyuan Liu Chang Liu Shiyu Wang Feng Chen Lixue Xia Yan Zhao Shijie Dong Lu Xia Hubei Provincial Key Laboratory of Green Materials for Light Industry Hubei Engineering Laboratory of Automotive Lightweight Materials and ProcessingNew Materials and Green Manufacturing Talent Introduction and Innovation Demonstration Base School of Materials and Chemical EngineeringHubei University of TechnologyWuhan 430068China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China State Key Laboratory of Silicate Materials for Architectures International School of Materials Science and EngineeringWuhan University of TechnologyWuhan 430070China Wuhan Polytechnic University Wuhan 430023China

Although the performance of the self-standing electrode has been enhanced for aqueous zinc-ion batteries(AZIBs),it is necessary to explore and analyse the deep modification mechanism(especially interface effects).Herein,density functional theory(DFT)calculations are applied to investigate the high-performance cathode based on the VO_(2)/carbon cloth composites with heterostructures interface(H-VO_(2)@CC).The adsorption energy comparisons and electron structure analyses verify that HVO_(2)@CC has extra activated sites at the interface,enhanced electrical conductivity,and structural stability for achieving highperformance AZIBs due to the presence of built-in electric field at the ***,the designed self-standing HVO_(2)@CC cathode delivers higher rate capacity,longer-life cyclability,and faster electronic/ion transmission kinetics benefiting from the synergistic *** risks of active material shedding and dissolution during the dis/charge process of two cathodes were evaluated via ex-situ ultraviolet–visible(UV–vis)spectrum and inductively coupled plasma-atomic emission spectroscopy(ICP-AES)***,this investigation also explores the charge storage mechanism of H-VO_(2)@CC through various exsitu and in-situ characterization *** finding can shed light on the significant potential of heterostructures interface engineering in practical applications and provide a valuable direction for the development of cathode materials for AZIBs and other metal-ion batteries.

关键词： aqueous zinc ion battery heterostructures interface built-in electric field VO_(2)(B) density functional theory

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Microscopic strengthening and failure mechanisms of graphene/Al composite: A molecular dynamics study

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Progress in Natural Science:materials International 2024年第4期34卷 720-730页

作者： Huijuan Guo Xiaoyan Sun Liang Chen Yuhui Zhao Kaiqiang Shen Xiangshan Kong State Key Laboratory of Advanced Equipment and Technology for Metal Forming Shandong University Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials (Ministry of Education) Shandong University Intelligent Manufacturing Department Yantai Engineering and Technology College

This study focused on the microscopic strengthening and failure mechanisms of the Al matrix reinforced by graphene(Gr), and the effects of number of layers, chirality, and arrangement of Gr were calculated based on the molecular dynamics simulation. The results revealed that the Young's modulus and yield strength were significantly enhanced by the addition of Gr. In Gr/Al composites with monolayer Gr, the zigzag Gr exhibited a better ultimate strain than the armchair Gr, indicating that the plastic deformation was affected by the chirality, and the dislocation hindrance and load transfer were the dominated strengthening mechanisms. The crack in the armchair Gr was limited to follow straight paths, while that in zigzag Gr extended in a petal-like manner across multiple directions. In Gr/Al composite with multilayer Gr, the dispersing Gr showed a stronger strengthening effect than the stacking Gr, and the strengthening effect increased with increasing the volume fraction of Gr. The dispersing Gr strongly hindered the movement of dislocations, while the Al matrix in the composite with stacking Gr could retard the folding of Gr. Moreover, Gr nanosheets fractured layer by layer rather than simultaneously fractured in the Gr/Al composites with multilayer Gr.

关键词： Molecular dynamics Gr/Al composites Strengthening Failure

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Dual-salt poly(tetrahydrofuran) electrolyte enables quasi-solid-state lithium metal batteries to operate at -30 ℃

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Journal of Energy Chemistry 2024年第9期96卷 456-463页

作者： Zhiyong Li Zhuo Li Rui Yu Xin Guo School of Materials Science and Engineering State Key Laboratory of Material Processing and Die&Mould TechnologyHuazhong University of Science and TechnologyWuhan 430074HubeiChina The State Key Laboratory of Refractories and Metallurgy and Institute of Advanced Materials and Nanotechnology Wuhan University of Science and TechnologyWuhan 430081HubeiChina

The stable operation of solid-state lithium metal batteries at low temperatures is plagued by severe restrictions from inferior electrolyte-electrode interface compatibility and increased energy barrier for Li^(+)***,we prepare a dual-salt poly(tetrahydrofuran)-based electrolyte consisting of lithium hexafluorophosphate and lithium difluoro(oxalato)borate(LiDFOB).The Li-salt anions(DFOB−)not only accelerate the ring-opening polymerization of tetrahydrofuran,but also promote the formation of highly ion-conductive and sustainable interphases on Li metal anodes without sacrificing the Li^(+)conductivity of electrolytes,which is favorable for Li^(+)transport kinetics at low *** of this polymer electrolyte in Li||LiFePO_(4)cells show 82.3%capacity retention over 1000 cycles at 30℃and endow stable discharge capacity at−30℃.Remarkably,the Li||LiFePO4 cells retain 52%of their room-temperature capacity at−20℃and 0.1 *** rational design of dual-salt polymer-based electrolytes may provide a new perspective for the stable operation of quasi-solid-state batteries at low temperatures.

关键词： Poly(tetrahydrofuran) Dual-salt electrolyte Solidel ectrolyte interphase Low-temperature operation Quasi-solid-state battery

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Effects of Diamond on the Mechanical Properties and Thermal Conductivity of Si_(3)N_(4)Composites Fabricated Using Spark Plasma Sintering

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Journal of Wuhan University of technology(materials Science) 2024年第5期39卷 1319-1324页

作者： GAO Ying LIU Di WANG Aiyang ZHANG Song HE Qianglong REN Shifeng FANG Jie WANG Zihan WANG Weimin State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Jingdezhen Huaxun Special Ceramics Co.ltd. Jingdezhen 333000China Aerospace Science&Industry Defense Technology Research and Test Center Beijing 100854China

Micrometer-sized diamonds were incorporated into silicon nitride(Si_(3)N_(4))matrix to manufacture high-performance Si_(3)N_(4)-based composites using spark plasma sintering at 1500℃under 50 *** effects of the diamond content on the phase composition,microstructure,mechanical properties and thermal conductivity of the composites were *** results showed that the addition of diamond could effectively improve the hardness of the *** thermal conductivity of Si_(3)N_(4)increased to 52.97 W/m·k at the maximum with the addition of 15 wt%diamond,which was 27.5%higher than that of the monolithic Si_(3)N_(4).At this point,the fracture toughness was 7.54 MPa·m^(1/2).Due to the addition of diamond,the composite material generated a new substance,MgSiN2,which effectively combined Si_(3)N_(4)with ***2 might improve the hardness and thermal conductivity of the materials.

关键词： spark plasma sintering Si_(3)N_(4) diamond thermal conductivity mechanical properties

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Designing carboxymethyl cellulose based hydrogel electrolyte membranes enhanced by inorganic nanoparticle toward stable zinc anode

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Green Energy & Environment 2025年第3期10卷 537-550页

作者： Xiangye Li Yuan Li Yu Jiang Dahui Wang Fen Ran State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals Department of Polymeric Materials EngineeringSchool of Material Science and EngineeringLanzhou University of TechnologyLanzhou730050China

Aqueous zinc metal batteries have garnered substantial attention ascribing to affordability,intrinsic safety,and environmental benignity Nevertheless,zinc metal batteries yet are challenged with potential service life issues resulted from dendrites and side *** this paper,a strategy of nanoparticles doped hydrogel is proposed for constructing carboxymethyl cellulose/graphite oxide hybrid hydrogel electrolyte membranes with exceptional ionic conductivity,anti-swelling property,and simultaneously addressing the dendrites and parasitic *** pivotal functions of the carboxymethyl cellulose/graphite oxide hydrogel electrolyte in mitigating hydrogen evolution and fostering accelerated Zn deposition have been elucidated based on principles of thermodynamic and reaction *** carboxymethyl cellulose/graphite oxide hydrogel electrolyte endows exceptional cycling longevity (800 h at 1 mA cm^(-2)/1 mAh cm^(-2)) for Znjj Zn battery,as well as high Coulombic efficiency for Znjj Cu battery (averagely 99.14%within 439 cycles at 1 mA cm^(-2)/1 mAh cm^(-2)).The assembled Znjj NH_(4)V_(4)O_(10)battery delivers a high reversible specific capacity of 328.5 mAh g^(-1)at 0.1 A g^(-1).Moreover,the device of Znjj NH_(4)V_(4)O_(10)pouch battery remains operational under severe conditions like bending and *** work provides valuable reference in developing inorganic nanoparticle hybrid hydrogel electrolyte for realizing high-performance zinc metal batteries.

关键词： Carboxymethyl cellulose Graphite oxide Hydrogel electrolyte Anti-swelling

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synthesis Approach and Adsorption Properties of SiOC Nanocomposite by Chitin Templating

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Journal of Wuhan University of technology(materials Science) 2022年第6期37卷 1041-1047页

作者： HUANG Yaoxuan PING Hang WANG Kun FU Zhengyi State Key Laboratory of Silicate Materials for Architectures Wuhan University of TechnologyWuhan 430070China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

Using chitin as the templating material,we obtained layered nanocomposites like shrimp or crab shells via a sol-gel self-assembly *** images show a layered structure and XRD patterns present a typical peak of chitin,which indicates the templating role of chitin in the as-received hybrid ***,the layer spacing of chitin/silica hybrid materials is reduced with increasing content of *** the heat treatment for carbonization,layered SiOC nanocomposites with mesoporous structures were obtained and showed good dye adsorption *** present study demonstrates a reliable and self-assembly synthesis technique for the development of advanced high-performance nanocomposites with biomimetic nanostructures.

关键词： chitin sol-gel method self-assembly biomimetic structure SiOC nanocomposite

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Tuning Active Metal Atomic Spacing by Filling of Light Atoms and Resulting Reversed Hydrogen Adsorption-Distance Relationship for Efficient Catalysis

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Nano-Micro Letters 2023年第10期15卷 151-162页

作者： Ding Chen Ruihu Lu Ruohan Yu Hongyu Zhao Dulan Wu Youtao Yao Kesong Yu Jiawei Zhu Pengxia Ji Zonghua Pu Zongkui Kou Jun Yu Jinsong Wu Shichun Mu State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070People’s Republic of China NRC(Nanostructure Research Centre) Wuhan University of TechnologyWuhan 430070People’s Republic of China

Precisely tuning the spacing of the active centers on the atomic scale is of great significance to improve the catalytic activity and deepen the understanding of the catalytic mechanism,but still remains a ***,we develop a strategy to dilute catalytically active metal interatomic spacing(d_(M-M))with light atoms and discover the unusual adsorption *** example,by elevating the content of boron as interstitial atoms,the atomic spacing of osmium(d_(Os-Os))gradually increases from 2.73 to 2.96?.More importantly,we find that,with the increase in dOs-Os,the hydrogen adsorption-distance relationship is reversed via downshifting d-band states,which breaks the traditional cognition,thereby optimizing the H adsorption and H_2O dissociation on the electrode surface during the catalytic process;this finally leads to a nearly linear increase in hydrogen evolution reaction ***,the maximum dOs-Os of 2.96?presents the optimal HER activity(8 mV@10 mA cm^(-2))in alkaline media as well as suppressed O adsorption and thus promoted *** is believed that this novel atomic-level distance modulation strategy of catalytic sites and the reversed hydrogen adsorption-distance relationship can shew new insights for optimal design of highly efficient catalysts.

关键词： Electrocatalysis DFT calculation Interstitial filling Hydrogen evolution Structure–activity relationships

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Construction of dendritic Pt–Pd bimetallic nanotubular heterostructure for advanced oxygen reduction

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Interdisciplinary materials 2024年第6期3卷 907-918页

作者： Mingwei Wang Zhiyi Hu Jieheng Lv Zhiwen Yin Zhewei Xu Jingfeng Liu Shihao Feng Xiaoqian Wang Jiazhen He Sicheng Luo Dafu Zhao Hang Li Xuemin Luo Qi Liu Damin Liu Baolian Su Dongyuan Zhao Yong Liu International School of Materials Science and Engineering(ISMSE) State Key Laboratory of Advanced Technology for Materials Synthesis and ProcessingWuhan University of TechnologyWuhanChina Department of Chemistry Laboratory of Inorganic Materials ChemistryUniversity of NamurNamurBelgium Department of Chemistry Laboratory of Advanced MaterialsShanghai Key Lab of Molecular Catalysis and Innovative MaterialsState Key Laboratory of Molecular Engineering of PolymersFudan UniversityShanghaiChina

Compositions and morphologies of Pt-based electrocatalysts have great impact on the electrocatalytic activity and stability of oxygen reduction reaction(ORR).Herein,we report a novel design of one-dimensional(1D)Pt-Pd dendritic nanotubular heterostructures(DTHs)by controlling the degree of Pt 2+-Pt reduction reaction and Pd-Pt galvanic replacement reaction with uniform Pd nanowires as sacrificial *** obtained Pt-Pd bimetallic DTHs catalyst exhibited uniform and dense Pt dendritic nanobranches on the surface of 1D hollow Pt-Pd alloy nanotubes,possessing superior catalytic activity for ORR compared to state-of-the-art commercial Pt/C ***,the Pt_(4)Pd DTHs catalyst showed efficient mass activity(MA,1.05 A mg_(Pt)^(−1))and specific activity(SA,1.25 mA cm_(Pt)^(−2))at 0.9 V(***),and the catalyst exhibited high stability with 90.4%MA retention after 20000 potential *** Pt-Pd bimetallic DTHs configuration combines the advantages of 1D hollow nanostructures and dense Pt dendritic nanobranches,which results in rich electrochemical active surface sites,fast charge transport,and multiple dendritic anchoring points contact on carbon support,thus boosting its catalytic activity and stability towards electrocatalysis.

关键词： dendritic hollow heterostructures electrocatalysis one-dimensional nanowires oxygen reduction proton exchange membrane fuel cells

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ZnIn_(2)S_(4)/MOF S-scheme photocatalyst for H_(2)production and its femtosecond transient absorption mechanism

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Journal of materials Science & technology 2024年第30期197卷 183-193页

作者： Jiajie Cai Bowen Liu Shumin Zhang Linxi Wang Zhen Wu Jianjun Zhang Bei Cheng State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Hunan Key Laboratory of Applied Environmental Photocatalysis Changsha UniversityChangsha 410022China Laboratory of Solar Fuel Faculty of Materials Science and ChemistryChina University of Geosciences68 Jincheng StreetWuhan 430078China Department of Chemical Engineering Ordos Institute of TechnologyOrdos 017000China

Photocatalytic water splitting is a popular pathway for H_(2)evolution,but the slow water oxidation greatly hampers the overall *** harness photogenerated holes in an efficient and lucrative way,the wa-ter oxidation reaction is replaced by selective oxidation of organic compounds to achieve simultaneous production of H_(2)and value-added ***,an alternative tactic is reported where an organic compound(benzylamine,BA)not only serves as the precursor for N-benzylidene-benzylamine(NBBA)production but also provides hydrogen sources for H_(2)evolution,achieving the goal under anhydrous *** process is realized using an S-scheme photocatalyst composed of ZnIn_(2)S_(4)and the UiO-66-NH_(2)(U6N)metal-organic framework(MOF).The S-scheme carrier transfer mechanism was validated by in-situ irradiated X-ray photoelectron spectroscopy(ISI-XPS)and femtosecond transient absorption(fs-TA)*** increased carrier efficiency and reinforced redox power endowed by the S-scheme heterojunction,the composite performed better than ZnIn2 S4 and *** performance was further ameliorated by Pt-cocatalyst modification,achieving an H_(2)production rate of 5275μmol h^(-1)g^(-1)as well as BA conversion of 94.3%with 99.3%NBBA *** studies reveal that BA is ini-tially oxidized to carbon-centered radicals and further to imines along with the release of *** imine reacts with another BA molecule to form NBBA,while the protons are reduced to H_(2).This work provides new insights into concurrent photocatalytic H_(2)production and selective organic oxidation from organic amines using S-scheme photocatalysts.

关键词： Photocatalysis S-scheme heterojunction Hydrogen production Selective oxidation Benzylamine Femtosecond transient absorption

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