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Ultrathin Metal Silicate Hydroxide Nanosheets with Moderate Metal-Oxygen Covalency Enables Efficient Oxygen Evolution

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Energy & Environmental materials 2022年第1期5卷 231-237页

作者： Jiexin Zhu Shikun Li Zechao Zhuang Shan Gao Xufeng Hong Xuelei Pan Ruohan Yu Liang Zhou Lyudmila V.Moskaleva Liqiang Mai State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Institute of Applied and Physical Chemistry and Center for Environmental Research and Sustainable Technology University of Bremen Department of Chemistry University of the Free State Collage of Chemistry & Chemical Engineering Anhui University Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Xianhu Hydrogen Valleyfoshan guangdong 528200china

Exploring efficient,cost-effective,and durable electrocatalysts for electrochemical oxygen evolution reaction(OER)is pivotal for the large-scale application of water *** advance has demonstrated that the activity of electrocatalysts exhibits a strong dependence on the surface electronic ***,a series of ultrathin metal silicate hydroxide nanosheets(UMSHNs)M_(3)Si_(2)O_(5)(OH)_(4)(M=Fe,Co,and Ni)synthesized without surfactant are introduced as highly active OER *** silicate hydroxide nanosheets show an optimal OER activity with overpotentials of 287 and 358 m V at 1 and 10 m A cm^(-2),*** experimental and theoretical studies,it is found that the OER activity of UMSHNs is dominated by the metal-oxygen covalency(MOC).High OER activity can be achieved by having a moderate MOC as reflected by aσ^(*)-orbital(e_(g))filling near unity and moderate[3d]/[2p]***,the UMSHNs exhibit favorable chemical stability under oxidation *** contribution provides a scientific guidance for further development of active metal silicate hydroxide catalysts.

关键词： electrocatalysis metal silicate hydroxide metal-oxygen covalency oxygen evolution reaction ultrathin nanosheet

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Poly(dopamine)-assisted Bioactive Coating on the Surface of Porous Poly (Ether Ether Ketone) to Promote Osteogenic Differentiation of rBMSC

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Journal of Wuhan University of technology(materials Science) 2021年第5期36卷 766-776页

作者： WANG Jin WANG Youfa WU Qingzhi State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Biomedical Material and Engineering Center of Hubei ProvinceWuhan University of TechnologyWuhan 430070China

A facile modification strategy is developed to promote the proliferation and osteogenic differentiation of rat bone marrow stromal cells(rBMSCs)through deposition of a bioactive calcium silicate(CS)coating on the porous surface of poly(ether-ether-ketone)(PEEK)with the assistance of poly(dopamine)(PDA).The porous structures are etched on the surface of PEEK after sulfonation treatment.A poly(dopamine)layer is coated on the porous surface of the sulfonated PEEK(SPEEK),which provides anchoring groups for the subsequent deposition of the CS *** show that the CS coating on the porous surface of SPEEK significantly improve the hydrophilicity and biomineralization formation of *** with PEEK,SPEEK-PDA-CS displays higher bioactivity to promote the proliferation and osteogenic differentiation of rBMSCs,including the increase of ALP activity and formation of calcium nodules,the expression of osteogenic differentiation-related *** results are beneficial to extending clinical applications of PEEK-based implants for bone tissue repair and orthopedic surgery.

关键词： poly(ether-ether-ketone) calcium silicate poly(dopamine) bioactivity osteogenic differentiation

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Single-atom Fe Embedded Co_(3)S_(4) for Efficient Electrocatalytic Oxygen Evolution Reaction

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Chemical Research in Chinese Universities 2022年第5期38卷 1282-1286页

作者： QI Yuxue LI Tingting HU Yajie XIANG Jiahong SHAO Wenqian CHEN Wenhua MU Xueqin LIU Suli CHEN Changyun YU Min MU Shichun Key Laboratory of Advanced Functional Materials of Nanjing Nanjing Xiaozhuang UniversityNanjing 211171P.R.China Co-Innovation Center of Efficient Processing and Utilization of Forest Resources College of Materials Science and EngineeringNanjing Forestry UniversityNanjing 210037P.R.China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070P.R.China

Constructing atomically dispersed active sites with densely exposed and dispersed double metal-Sx catalytic sites for favorable OER catalytic activity remains rare and ***,we design and construct a Fe_(1)S_(x)@Co_(3)S_(4) electrocatalyst with Fe single atoms epitaxially confined in Co_(3)S_(4) nanosheets for catalyzing the sluggish alkaline oxygen evolution reaction(OER).Consequently,in ultralow concentration alkaline solutions(0.1 mol/L KOH),such a catalyst is highly active and robust for OER with low overpotentials of 300 and 333 mV at current densities of 10 and 30 mA/cm^(2),respectively,accompanying long-term stability without significant degradation even for 350 *** addition,Fe_(1)S_(x)@Co_(3)S_(4) shows a turnover frequency(TOF)value of 0.18 s−1,nearly three times that of Co_(3)S_(4)(0.07 s−1),suggesting the higher atomic utilization of Fe single atoms.Mössbauer and in-situ Raman spectra confirm that the OER activity of Fe_(1)S_(x)@Co_(3)S_(4) origins from a thin catalytic layer of Co(Fe)OOH that interacts with trace-level Fe species in the electrolyte,creating dynamically stable active *** with experimental characterizations,it suggests that the most active S-coordinated dual-metal site configurations are 2S-bridged(Fe-Co)S4,in which Co-S and Fe-S moieties are shared with two S atoms,which can strongly regulate the adsorption energy of reaction intermediates,accelerating the OER reaction kinetics.

关键词： Electrocatalyst Dual-metal site S coordination Fe single atom Oxygen evolution reaction

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Unraveling the reaction reversibility and structure stability of nickel sulfide anodes for lithium ion batteries

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Journal of Energy Chemistry 2023年第5期80卷 392-401,I0010页

作者： Yu Huang Chunyuan Liang Yueling Cai Yi Zhou Bingkun Guo Jipeng Cheng Heguang Liu Peng Wang Qianqian Li Anmin Nie Hongtao Wang Jinsong Wu Tongyi Zhang Materials Genome Institute Shanghai UniversityShanghai 200444China Center for X-mechanics Zhejiang UniversityHangzhou 310027ZhejiangChina School of Materials Science and Engineering Zhejiang UniversityHangzhou 310027ZhejiangChina School of Materials Science and Engineering Xi'an University of TechnologyXi'an 048ShaanxChin Shanghai Key Laboratory of Mechanics in Energy Engineering Shanghai Institute of Applied Mathematics and MechanicsSchool of Mechanics and Engineering ScienceShanghai UniversityShanghai 200444China Center for High Pressure Science State Key Laboratory of Metastable Materials Science and TechnologyYanshan UniversityQinhuangdao 066004HebeiChina State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Nanostructure Research CenterWuhan University of TechnologyWuhan 430070HubeiChina

The electrochemical performance of lithium-ion batteries,*** capacity and cyclability,is primarily determined by chemical reversibility and structural stability of the electrodes in *** we have investigated the fundamental reaction behaviors of nickel sulfide(NixSy)as lithium-ion battery anodes by in-situ *** find that Ni_(3)S_(2)is the electrochemically stable phase,which appears in the first cycle of the *** the second cycle,conversion between Ni_(3)S_(2)and Li_(2)S/Ni is the dominant electrochemical *** lithiation,the NixSynanoparticles evolve into a mixture of Ni nanocrystals embedded in Li_(2)S matrix,which form a porous structure upon full lithiation,and with the recrystallization of the Ni_(3)S_(2)phase in delithiation,a compact and interconnected network is *** stability in cycles is susceptible to particle size and substrate *** substrate can certainly improve the tolerance for size-dependent pulverization of *** NixSynanoparticle exceeds the critical size value,the morphology of the particle is no longer well maintained even under the constraints of the carbon *** work deepens the understanding of electrochemical reaction behavior of conversiontype materials and helps to rational design of high-energy density battery anodes.

关键词： Nickel sulfide anodes Reaction reversility Structure rebuilding In-situ TEM Lithium-ion battery

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Nurturing the marriages of single atoms with atomic clusters and nanoparticles for better heterogeneous electrocatalysis

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Interdisciplinary materials 2022年第1期1卷 51-87页

作者： Lei Zhang Jiawei Zhu Xin Li Shichun Mu Francis Verpoort Junmin Xue Zongkui Kou John Wang Department of Materials Science and Engineering National University of SingaporeSingaporeSingapore State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhanChina School of Physical&Mathematical Sciences Nanyang Technological UniversitySingaporeSingapore

Single-atom catalysts,featuring some of the most unique activities,selectivity,and high metal utilization,have been extensively studied over the past *** their high activity,selectivity,especially towards small molecules or key intermediate conversions,they can be synergized together with other active species(typically other single atoms,atomic clusters,or nanoparticles)in either tandem or parallel or both,leading to much better performance in complex catalytic *** there have been reports on effectively combining the multiple components into one single catalytic entity,the combination and synergy between single atoms and other active species have not been reviewed and examined in a systematic ***,in this overview,the key synergistic interactions,binary complementary effects,and the bifunctional functions of single atoms with other active species are defined and discussed in *** integration functions of their marriages are in-vestigated with particular emphasis on the homogeneous and heterogeneous combinations,spatial distribution,synthetic strategies,and the thus-derived outstanding catalytic performance,together with new light shined on the catalytic mechanisms by zooming in several case *** dynamic nature of each of the active species and in particular their interactions in such new catalytic entities in the heterogeneous electrocatalytic processes are visited,on the basis of the in situ/operando ***,we feature the current chal-lenges and future perspectives of these integrated catalytic entities that can offer guidance for advanced catalyst design by the rational combination and synergy of binary or multiple active species.

关键词： atomic clusters binary/multiple synergy heterogeneous catalysis nanoparticles single atoms

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Regulating crystallization and retarding oxidation in Sn-Pb perovskite via 1D cation engineering for high performance all-perovskite tandem solar cells

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Journal of Energy Chemistry 2025年第1期100卷 646-652页

作者： Ranran Liu Xin Zheng Zaiwei Wang Miaomiao Zeng Chunxiang Lan Shaomin Yang Shangzhi Li Awen Wang Min Li Jing Guo Xuefei Weng Yaoguang Rong Xiong Li Michael Grätzel Center for Mesoscopic Solar Cells Wuhan National Laboratory for OptoelectronicsHuazhong University of Science and TechnologyWuhan 430074HubeiChina Institute of Technology for Carbon Neutrality Shenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen 518055GuangdongChina School of Chemistry Chemical Engineering and Life SciencesState Key Laboratory of Advanced Technology for Materials Synthesis and ProcessingWuhan University of Technology430070HubeiChina Suzhou Institute of Nano-Tech and Nano-Bionics(SINANO) Chinese Academy of SciencesSuzhou 215123JiangsuChina School of Physics and Optoelectronic Engineering Hainan UniversityHaikou 570228HainanChina

All-perovskite tandem solar cells have the potential to surpass the theoretical efficiency limit of single junction solar cells by reducing thermalization ***,the challenges encompass the oxidation of Sn^(2+)to Sn^(4+)and uncontrolled crystallization kinetics in Sn-Pb perovskites,leading to nonradiative recombination and compositional heterogeneity to decrease photovoltaic efficiency and operational ***,we introduced an ionic liquid additive,1-ethyl-3-methylimidazolium iodide (EMIMI) into Sn-Pb perovskite precursor to form low-dimensional Sn-rich/pure-Sn perovskites at grain boundaries,which mitigates oxidation of Sn^(2+)to Sn^(4+)and regulates the film-forming dynamics of Sn/Pb-based perovskite *** optimized single-junction Sn-Pb perovskite devices incorporating EMIMI achieved a high efficiency of 22.87%.Furthermore,combined with wide-bandgap perovskite sub-cells in tandem device,we demonstrate 2-terminal all-perovskite tandem solar cells with a power conversion efficiency of 28.34%,achieving improved operational stability.

关键词： All-perovskite tandem solar cells Sn-Pb perovskite 1D Regulated crystallization Antioxidation

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Remarkably enhanced dielectric stability and energy storage properties in BNT–BST relaxor ceramics by A-site defect engineering for pulsed power applications

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Journal of advanced Ceramics 2022年第2期11卷 283-294页

作者： Zhipeng LI Dong-Xu LI Zong-Yang SHEN Xiaojun ZENG Fusheng SONG Wenqin LUO Xingcai WANG Zhumei WANG Yueming LI Energy Storage and Conversion Ceramic Materials Engineering Laboratory of Jiangxi Province China National Light Industry Key Laboratory of Functional Ceramic MaterialsSchool of Materials Science and EngineeringJingdezhen Ceramic UniversityJingdezhen 333403China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing School of Materials Science and EngineeringWuhan University of TechnologyWuhan 430070China Chengdu Hongke Electronic Technology Co. Ltd.Chengdu 610000China

Lead-free bulk ceramics for advanced pulsed power capacitors show relatively low recoverable energy storage density(Wrec)especially at low electric field *** address this challenge,we propose an A-site defect engineering to optimize the electric polarization behavior by disrupting the orderly arrangement of A-site ions,in which Ba_(0.105)Na_(0.325)Sr_(0.245−1.5x)□_(0.5x)Bi_(0.325)+xTiO_(3)(BNS_(0.245−1.5x)□_(0.5x)B_(0.325+x)T,x=0,0.02,0.04,0.06,and 0.08)lead-free ceramics are selected as the *** BNS_(0.245−1.5x)□_(0.5x)B_(0.325+x)T ceramics are prepared by using pressureless solid-state sintering and achieve large W_(rec)(1.8 J/cm^(3))at a low electric field(@110 kV/cm)when x=*** value of 1.8 J/cm3 is super high as compared to all other W_(rec) in lead-free bulk ceramics under a relatively low electric field(<160 kV/cm).Furthermore,a high dielectric constant of 2930 within 15%fluctuation in a wide temperature range of 40–350℃is also obtained in BNS_(0.245−1.5x)□_(0.5x)B_(0.325+x)T(x=0.06)*** excellent performances can be attributed to the A-site defect engineering,which can reduce remnant polarization(P_(r))and improve the thermal evolution of polar nanoregions(PNRs).This work confirms that the BNS_(0.245−1.5x)□_(0.5x)B_(0.325+x)T(x=0.06)ceramics are desirable for advanced pulsed power capacitors,and will push the development of a series of Bi0.5Na0.5TiO3(BNT)-based ceramics with high W_(rec) and high-temperature stability.

关键词： relaxor ferroelectrics energy storage ceramics ceramic capacitor Bi_(0.5)Na_(0.5)TiO_(3)(BNT) defect engine

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Structural features and thermoelectric performance of Sb- and Bi-doped Cu_(2)SnSe_(3) compounds

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Rare Metals 2021年第9期40卷 2474-2485页

作者： Shu-Ping Deng Xian-Yan Jiang Li-Li Chen Zi-Ye Zhang Ning Qi Yi-Chu Wu Xin-Feng Tang Zhi-Quan Chen School of Physics and Technology Hubei Key Laboratory of Nuclear Solid State PhysicsWuhan UniversityWuhan 430072China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

In this paper, a series of Sb-doped and Bi-doped Cu_(2)Sn_(1-x)M_(x)Se_(3) samples(M = Sb, Bi) are prepared by vacuum melting combined with the spark plasma sintering process. The effects of different atomic doping amounts on their properties are discussed. Structural studies indicate that all obtained samples comprise a single Cu_(2)SnSe_(3) phase. Sb and Bi atoms are experimentally demonstrated to be efficient cation dopants for increasing the transport performance. Compared with that doping on the cation site,Bi doping is much more efficient in increasing the electron concentration of the Cu_(2)SnSe_(3) system. Ultimately, a high figure of merit of 0.36 is achieved in the Cu_(2)Sn_(0.94)Sb_(0.06) Se_(3) sample at 773 K due to the enhanced power factor and lowered lattice thermal conductivity,which are 1.73 times higher than those of the pure *** results provide an efficient approach to enhance thermoelectric performance via other doping atoms, which could also be applied to copper-based chalcogenide materials.

关键词： Thermoelectric properties Positron annihilation spectroscopy Ternary copper chalcogenide Structure features Doping Polycrystalline

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Density Functional Theory for Electrocatalysis

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Energy & Environmental materials 2022年第1期5卷 157-185页

作者： Xiaobin Liao Ruihu Lu Lixue Xia Qian Liu Huan Wang Kristin Zhao Zhaoyang Wang Yan Zhao State Key Laboratory of Silicate Materials for Architectures International School of Materials Science and EngineeringWuhan University of TechnologyWuhan 430070China Zhejiang University Hangzhou 310058China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Center of Smart Materials and DevicesSchool of Materials Science and EngineeringWuhan University of TechnologyWuhan 430070China Lynbrook High School San Jose CA 95129USA The Institute of Technological Sciences Wuhan UniversityWuhan 430072China

It is a considerably promising strategy to produce fuels and high-value chemicals through an electrochemical conversion process in the green and sustainable energy *** for electrocatalytic reactions,including hydrogen evolution reaction(HER),oxygen evolution reaction(OER),oxygen reduction reaction(ORR),nitrogen reduction reaction(NRR),carbon dioxide reduction reaction(CO_(2)RR),play a significant role in the advanced energy conversion technologies,such as water splitting devices,fuel cells,and rechargeable metal-air *** low-cost and highly efficient electrocatalysts is closely related to establishing the composition-structure-activity relationships and fundamental understanding of catalytic *** functional theory(DFT)is emerging as an important computational tool that can provide insights into the relationship between the electrochemical performances and physical/chemical properties of *** article presents a review on the progress of the DFT,and the computational simulations,within the framework of DFT,for the electrocatalytic processes,as well as the computational designs and virtual screenings of new *** useful descriptors and analysis tools for evaluating the electrocatalytic performances are highlighted,including formation energies,d-band model,scaling relation,egorbital occupation,and free energies of ***,the remaining questions and perspectives for the development of DFT for electrocatalysis are also proposed.

关键词： analysis tools density functional theory descriptors electrocatalysis

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Zr_(2)SeB and Hf_(2)SeB:Two new MAB phase compounds with the Cr_(2)AlC-type MAX phase(211 phase)crystal structures

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Journal of advanced Ceramics 2022年第11期11卷 1764-1776页

作者： Qiqiang ZHANG Yanchun ZHOU Xingyuan SAN Wenbo LI Yiwang BAO Qingguo FENG Salvatore GRASSO Chunfeng HU Key Laboratory of Advanced Technologies of Materials Ministry of EducationSchool of Materials Science and EngineeringSouthwest Jiaotong UniversityChengdu 610031China Science and Technology on Advanced Functional Composite Laboratory Aerospace Research Institute of Materials&Processing TechnologyBeijing 100076China Hebei Key Lab of Optic–Electronic Information and Materials College of Physics Science and TechnologyHebei UniversityBaoding 071002China State Key Laboratory of Green Building Materials China Building Materials AcademyBeijing 100024China

The ternary or quaternary layered compounds called MAB phases are frequently mentioned recently together with the well-known MAX ***,MAB phases are generally referred to layered transition metal borides,while MAX phases are layered transition metal carbides and nitrides with different types of crystal structure although they share the common nano-laminated structure *** order to prove that MAB phases can share the same type of crystal structure with MAX phases and extend the composition window of MAX phases from carbides and nitrides to borides,two new MAB phase compounds Zr_(2)SeB and Hf_(2)SeB with the Cr_(2)AlC-type MAX phase(211 phase)crystal structure were discovered by a combination of first-principles calculations and experimental verification in this ***-principles calculations predicted the stability and lattice parameters of the two new MAB phase compounds Zr_(2)SeB and Hf_(2)*** they were successfully synthesized by using a thermal explosion method in a spark plasma sintering(SPS)*** crystal structures of Zr_(2)SeB and Hf_(2)SeB were determined by a combination of the X-ray diffraction(XRD),scanning electron microscopy(SEM),and high-resolution transmission electron microscopy(HRTEM).The lattice parameters of Zr_(2)SeB and Hf_(2)SeB are a=3.64398Å,c=12.63223Åand a=3.52280Å,c=12.47804Å,*** the atomic positions are M at 4f(1/3,2/3,0.60288[Zr]or 0.59889[Hf]),Se at 2c(1/3,2/3,1/4),and B at 2a(0,0,0).And the atomic stacking sequences follow those of the Cr_(2)AlC-type MAX *** work opens up the composition window for the MAB phases and MAX phases and will trigger the interests of material scientists and physicists to explore new compounds and properties in this new family of materials.

关键词： Zr_(2)SeB and Hf_(2)SeB MAB phase MAX phase first-principles calculations thermal explosion synthesis

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