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AI-driven material discovery for energy, catalysis and sustainability

National Science Review 2025年第5期 77-78页

作者： Ning Han Bao-Lian Su Department of Electrical and Computer Engineering University of Toronto Laboratory of Inorganic Materials Chemistry(CMI) University of Namur State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology

Artificial intelligence (AI) is revolutionizing various sectors, including science,technology, industry and daily life [1,2].One key area where AI can make a significant impact is in material design, crucial for advan...

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Unprecedented strong and reversible atomic orbital hybridization enables a highly stable Li-S battery

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国家科学评论（英文版） 2022年第7期9卷 109-119页

作者： Min Yan Wenda Dong Fu Liu Lihua Chen Tawfique Hasan Yu Li Bao-Lian Su State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Hubei Key Laboratory of Plasma Chemistry and Advanced Materials Hubei Engineering Technology Research Center of Optoelectronic and New Energy MaterialsSchool of Materials Science and EngineeringWuhan Institute of TechnologyWuhan 430205China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China School of Materials Science and Engineering Zhejiang UniversityHangzhou 310027China Cambridge Graphene Centre University of CambridgeCambridge CB3 OFAUK State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Laboratory of Inorganic Materials Chemistry(CMI) University of NamurNamur B-50000 Belgium

The shuttle effect and excessive volume change of the sulfur cathode severely impede the industrial implementation of Li-S *** is still highly challenging to find an efficient way to suppress the shuttle effect and volume ***,we report,for the first time,an innovative atomic orbital hybridization concept to construct the hierarchical hollow sandwiched sulfur nanospheres with double-polyaniline layers as the cathode material for large-scale high-performance Li-S *** hierarchically 3D,cross-linked and stable sulfur-polyaniline backbone with interconnected disulfide bonds provides a new type and strong intrinsic chemical confinement of sulfur owing to the atomic orbital hybridization of Li 2s,S 3p,C 2p and N ***,such atomic orbital hybridization of sulfur sandwiched in the double sulfur-polyaniline network is highly reversible during the discharge/charge process and can very efficiently suppress the shuttle effect and volume expansion,contributing to a very high capacity of 1142 mAh g-1 and an excellent stabilized capacity of 886 mAh g-1 at 0.2 C after 500 cycles with a suppressed volume expansion and an unprecedented electrode *** innovative atomic orbital hybridization concept can be extended to the preparation of other electrode materials to eliminate the shuttle effect and volume expansion in battery *** present work also provides a commercially viable and up-scalable cathode material based on this strong and highly reversible atomic orbital hybridation for large-scale high-performance Li-S batteries.

关键词： atomic orbital hybridization hierarachical hollow sandwiched sulfur nanosphere double sulfur–polyaniline networks lithium–sulfur batteries insitu vulcanization

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Interfacial reaction behavior and mechanical properties of 5A06 Al alloy soldered with Sn-1Ti-xGa solders at a low temperature

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China Welding 2023年第2期32卷 23-31页

作者：宋立志肖勇奚邦富李佳琪张建 School of Materials Science and Engineering Wuhan University of TechnologyWuhan 430070China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

Active soldering of 5A06 Al alloy was performed at 300 ℃ by using Sn-1Ti and Sn-1Ti-0.3Ga active solders, respectively. Theeffects of soldering time on the microstructure and mechanical properties of the joints were investigated. The results showed that the Sn-1Tisolder broke the oxide film on the surface of the Al substrate and induced intergranular diffusion in the Al substrate. When Ga was added tothe solder, severe dissolution pits appeared in the Al substrate due to the action of Sn-1Ti-0.3Ga solder, and many Al particles were flakedfrom the matrix into the solder seam. Under thermal stress and the Ti adsorption effect, the oxide film cracked. With increasing solderingtime, the shear strength of 5A06 Al alloy joints soldered with Sn-1Ti and Sn-1Ti-0.3Ga active solders increased. When soldered for 90 min,the joint soldered with Sn-1Ti-0.3Ga solder had a higher shear strength of 22.12 MPa when compared to Sn-1Ti solder.

关键词： 5A06-Al alloy Sn-Ti-Ga solder low-temperature soldering interfacial reaction mechanical properties

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Improvement of AlN Thermal Conductivity Based on Reductive Compound Additives

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Journal of Wuhan University of technology(materials Science) 2023年第5期38卷 1025-1033页

作者： LI Meijuan WANG Chuanyi WANG Gaoqiang WANG Chuanbin SHEN Qiang State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China School of Chemistry Chemical Engineering and Life SciencesWuhan University of TechnologyWuhan 430070China Nanchong Three-circle Electronics Co.LTD. Nanchong 637100China

AlN ceramics were prepared by plasma activation sintering(PAS)with compound additives yttrium acetylacetonate(Y(acac)_(3))and melamine(C_(3)H_(6)N_(6)).The effects of compound additives on the microstructure,density,and thermal properties of Al N ceramic were studied.Y(acac)3and C_(3)H_(6)N_(6)can form Y_(2)O_(3),residual organic carbon and reducing gas during the heating process,which improves the Al N sintering performance at a temperature of 1700℃and the bulk thermal *** the content of Y(acac)_(3)is 10 wt%and C_(3)H_(6)N_(6)is 3 wt%,the thermal conductivity of Al N ceramics is 105.6 W/(m·K),which is much higher than that of Al N ceramics with Y_(2)O_(3)under the same sintering *** work provides theoretical reference for the preparation of high-performance Al N ceramic.

关键词： reductive compound additives AlN ceramic thermal conductivity:plasma activated sintering

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Chiral effect on Aβ fibrillation from molecular-scale to nanoscale

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Nano Research 2022年第7期15卷 6721-6729页

作者： Guanbin Gao Guowei Zhu Liangchong Yu Zijun Zhang Ting Zhang Xinglin Liu Cheng Zhang Lin Zhou Taolei Sun State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China School of Chemistry Chemical Engineering and Life ScienceWuhan University of TechnologyWuhan 430070China

β-Amyloid(Aβ)peptide fibrillation,one of the characteristic hallmarks of Alzheimer’s disease,is determined by many interfacial physical-chemical factors,e.g.,charge,hydrophobicity,*** extensive research,chiral effect in different-scales on the fibrillation process of Aβremains ***,molecular-scale,sub-nanoscale,and nanoscale chiral-structures were constructed to investigate their chiral effect on the fibrillation of Aβ_(40) *** structures from molecular-scale to nanoscale were obtained from the different periods of the chemosynthesis process of chiral ZnS quantum-dots(QDs),confirmed by real-time monitoring of circular dichroism *** molecular-scale,both L-penicillamine(L-P)and D-P ligands accelerated the fibrillation of Aβ_(40),and the speed-up effect of D-P was slightly stronger than *** sub-nanoscale,both two chiral Zncomplexes(L-Zn and D-Zn)induced the agglomeration of Aβ_(40) without chirality *** nanoscale,both L-ZnS and DZnS QDs inhibited the fibrillation of Aβ_(40),and the inhibition effect of L-ZnS was notably better than that of ***-situ kinetics experiments of Aβ_(40) co-incubated with two chiral QDs demonstrated that L-ZnS completely prevents the misfolding of Aβ_(40) from unfolded toβ-sheet,while D-ZnS cannot achieve *** site-replacement experiments and simulation results revealed the underlying molecular mechanisms of the different inhibition efficiency of chiral ZnS QDs on Aβ_(40) fibrillation,which mainly attribute to the stereoselectivity interaction between the chiral ligands of ZnS QDs and electro-positive amino acid residues(R5,K16,and K28)of Aβ_(40).This work offers a microscopic insight of chiral effect on Aβfibrillation exerted by structures in different-scales,and provides a guidance in precise regulation of protein fibrillation via manipulating chiral structures in different-scales.

关键词： chirality molecular-scale sub-nanoscale nanoscale Aβ_(40) fibrillation

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Directly Unveiling the Photothermal Corrosion of BiVO4 via In-situ Transmission Electron Microscopy

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Chemical Research in Chinese Universities 2025年第2期41卷 351-357页

作者： WANG Lindong SUN Jingyi WANG Lang LI Yu HU Zhiyi SU Baolian State Key Laboratory of Advanced Technology for Materials Synthesis and Processing International School of Materials Science and Engineering(ISME)Wuhan University of TechnologyWuhan 430070P.R.China Nanostructure Research Centre(NRC) Wuhan University of TechnologyWuhan 430070P.R.China CMI(Laboratory of Inorganic Materials Chemistry) University of Namurrue deBruxelles 61B-5000NamurBelgium

BiVO4(BVO)is widely utilized in photothermal catalysis because of its favorable bandgap structure(2.4 eV),excellent photo response capabilities and high thermal ***,the mechanism of BVO photothermal corrosion still remains unclear due to the lack of visualized characterization on the degradation process in real ***,we directly unveil the photothermal-induced microstructural evolution of BVO through in-situ heating(scanning)transmission electron microscopy[(S)TEM].The results indicate that the electrons are the initiating condition(“switch”)for the photothermal corrosion of BVO,resulting in the precipitation of Bi and reduction of V5+to V3+in the substrate,while the thermal field facilitates the evaporation of Bi and the recrystallization of *** work sheds light on the mechanism of BVO photothermal corrosion in dynamics and provides significant insights into the photothermal synergistic effects.

关键词： BiVO4 Photothermal corrosion In-situ transmission electron microscopy(TEM) Photothermal catalysis Structural evolution

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Hybrid ionic/electronic interphase enabling uniform nucleation and fast diffusion kinetics for stable lithium metal anode

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Chinese Chemical Letters 2024年第2期35卷 626-633页

作者： Lun Li Pengxia Ji Meng Huang Zixin Zhang Hong Wang Francis Verpoort Jinlong Yang Daping He State Key Laboratory of Advanced Technology for Materials Synthesis and Processing School of Materials Science and EngineeringWuhan University of TechnologyWuhan 430070China Guangdong Research Center for Interfacial Engineering of Functional Materials College of Materials Science and EngineeringShenzhen UniversityShenzhen 518060China Sanya Science and Education Innovation Park of Wuhan University of Technology Sanya 572000China Hubei Engineering Research Center of RF-Microwave Technology and Application Wuhan University of TechnologyWuhan 430070China State Key Laboratory of Silicate Materials for Architectures Wuhan University of TechnologyWuhan 430070China

Lithium(Li)dendrite issue,which is usually caused by inhomogeneous Li nucleation and fragile solid electrolyte interphase(SEI),impedes the further development of high-energy Li metal ***,the integrated construction of a high-stable SEI layer that can regulate uniform nucleation and facilitate fast Li-ion diffusion kinetics for Li metal anode still falls ***,we designed an artificial SEI with hybrid ionic/electronic interphase to regulate Li deposition by in-situ constructing metal Co clusters embedded in LiF *** generated Co and LiF both enable fast Li-ion diffusion kinetics,meanwhile,the lithiophilic properties of Co clusters can serve as Li-ion nucleation sites,thereby contributing to uniform Li nucleation and non-dendritic *** a result,a dendrite-free Li deposition with a low overpotential(16.1 mV)is achieved,which enables an extended lifespan over 750 h under strict *** full cells with high-mass-loading LiFePO_(4)(11.5 mg/cm^(2))as cathodes exhibit a remarkable rate capacity of 84.1 mAh/g at 5 C and an improved cycling performance with a capacity retention of 96.4%after undergoing 180 cycles.

关键词： Lithium metal anode Hybrid ionic/electronic interphase Solid electrolyte interphase Fast diffusion kinetics Dendritic growth of lithium

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Mitigating the dissolution of V_(2)O_(5) in aqueous ZnSO_(4) electrolyte through Ti-doping for zinc storage

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Chinese Chemical Letters 2024年第1期35卷 558-562页

作者： Zihe Wei Xuehua Wang Ting Zhu Ping Hu Liqiang Mai Liang Zhou Hubei Longzhong Laboratory Wuhan University of Technology(Xiangyang Demonstration Zone)Xiangyang 441000China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China School of Materials Science and Engineering Wuhan Institute of TechnologyWuhan 430205China Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Xianhu Hydrogen ValleyFoshan 528200China

Aqueous zinc-ion batteries(AZIBs)have become a hotspot for electrochemical energy storage owing to the high safety,low cost,environmental friendliness,and favorable rate ***,the serious dissolution of cathode materials in aqueous electrolytes would lead to poor cyclability,which should be addressed before ***,we designed a Ti-doped V_(2)O_(5) with yolk-shell microspherical structure for *** Ti doping stabilizes the crystal structure and relieves the dissolution of V_(2)O_(5) in aqueous ZnSO_(4) *** optimized sample,Ti_(0.2)V_(1.8)O_(4.9),delivers a high capacity(355 mAh/g at 0.05 A/g)as well as good capacity retention(89%after 2500 cycles at 1.0 A/g).This work provides an effective strategy to mitigate the dissolution of cathode material in aqueous ZnSO_(4) electrolyte for cyclability enhancement.

关键词： Aqueous zinc-ion batteries V_(2)O_(5)cathode materials Aqueous ZnSO_(4)electrolyte Yolk-shell structure Ti doping

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In Situ-Constructed Li_(x)MoS_(2)with Highly Exposed Interface Boosting High-Loading and Long-Life Cathode for All-Solid-state Li-S Batteries

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Energy & Environmental materials 2024年第4期7卷 163-174页

作者： Hao Li Rui Wang Jiangping Song Dan Liu Hongyang Gao Yimin Chao Haolin Tang A State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Department of Chemistry Chemical Engineeringand Life ScienceWuhan University of TechnologyWuhan 430070China Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Xianhu Hydrogen ValleyFoshan 528200China School of Chemistry University of East AngliaNorwich NR47TJUK

As the persistent concerns regarding sluggish reaction kinetics and insufficient conductivities of sulfur cathodes in all-solid-state Li-S batteries(ASSLSBs),numerous carbon additives and solid-state electrolytes(SSEs)have been incorporated into the cathode to facilitate ion/electron pathways around ***,this has resulted in a reduced capacity and decomposition of ***,it is worth exploring neotype sulfur hosts with electronic/ionic conductivity in the ***,we present a hybrid cathode composed of few-layered S/MoS_(2)/C nanosheets(<5 layers)that exhibits high-loading and long-life performance without the need of additional carbon additives in advanced *** multifunctional MoS_(2)/C host exposes the abundant surface for intimate contacting sites,in situ-formed LixMoS_(2)during discharging as mixed ion/electron conductive network improves the S/Li2S conversion,and contributes extra capacity for the part of active *** a high active material content(S+MoS_(2)/C)of 60 wt%in the S/MoS_(2)/C/Li_(6)PS_(5)Cl cathode composite(the carbon content is only~3.97 wt%),the S/MoS_(2)/C electrode delivers excellent electrochemical performance,with a high reversible discharge capacity of 980.3 mAh g^(-1)(588.2 mAh g^(-1)based on the whole cathode weight)after 100 cycles at 100 mA g^(-1).The stable cycling performance is observed over 3500 cycles with a Coulombic efficiency of 98.5%at 600 mA g^(-1),while a high areal capacity of 10.4 mAh cm^(-2)is achieved with active material loading of 12.8 mg cm^(-2).

关键词： all-solid-state lithium-sulfur batteries conversion/intercalation high-loading and long-life low carbon content mixed ionic/electronic conductivities

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Scalable graphene foam with ultrahigh conductivity for stabilizing Pt towards efficient hydrogen evolution

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Nano Research 2024年第8期17卷 6968-6976页

作者： Ming Zhao Meng Huang Huihui Jin Dayin He Wei Qian Zixin Zhang Daping He State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China Hubei Engineering Research Center of RF-Microwave Technology and Application Wuhan University of TechnologyWuhan 430070China School of Information Engineering Wuhan University of TechnologyWuhan 430070China School of Chemistry and Materials Science University of Science and Technology of ChinaHefei 230026China Sanya Science and Education Innovation Park of Wuhan University of Technology Sanya 572000China

For the carbon-based catalyst to be active and stable,especially in harsh electrochemical environments,the key is to decrease the concentration of defects and raise the degree of graphitization of the carbon ***,we develop a highly graphitized graphene foam with multiplicated structure to fabricate self-supporting Pt-based catalysts for efficient and stable hydrogen evolution reaction(HER)*** foam(GO-2850)is obtained through an ultra-high temperature treatment at 2850℃,with perfect graphene structure and extremely low defect,ensuring high electrical conductivity and corrosion ***,its multiplicated structure provides an inherently favorable environment for the dispersion of Pt nanoparticles(Pt NPs)and offers abundant channels for electrolyte infiltration during the catalytic *** a result,the as-prepared Pt/GO-2850 is far active and stable than the Pt NPs supported on commercial carbon paper(Pt/CP)counterpart toward catalyzing HER,exhibiting an outstanding activity and long-term durability(300 h@10 mA·cm^(−2))in acidic/alkaline/seawater *** can be attributed to the stronger interaction between the lower-defect GO-2850 substrate and Pt,as evidenced by characterization and theoretical *** work extends further insight into the design self-supporting catalysts of high activity and stability with promising prominent application toward green energy devices.

关键词： graphene foam high graphitization Pt nanoparticles hydrogen evolution reaction long-term stability

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