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结构化学
结构化学

吴新涛

月刊

0254-5861

jghx@fjirsm.ac.cn

0591-83704886，83704896

350002

福建省福州市杨桥西路155号

结构化学/Journal Chinese Journal of Structural ChemistryCSCD北大核心CSTPCDSCI
查看更多>>本刊是中国科学院主管，中国化学会、中国科学院福建物质结构研究所主办的学术性期刊。2006年改为纯英文版“Chinese Journal of Structural Chiemistry”。主要报道晶体学，量子化学，药物、材料和催化剂等领域物质性能与结构关系的文章。报道的内容涉及有机化学、无机化学、合成化学、结构化学、材料科学、药物化学、晶体学、理论化学等学科中的微观物质结构与性能关系的研究成果或阶段性成果。与此同时本刊也报道用谱学等物理方法解析物质结构、阐述物质结构与性能关系的论文。《结构化学》是中国自然科学核心期刊，中国科技论文引文数据库来源及统计源期刊。
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    2D zirconium-based metal-organic framework/bismuth(Ⅲ)oxide nanorods composite for electrocatalytic CO2-to-formate reduction

    Dong-Ling KuangSong ChenShaoru ChenYong-Jie Liao...
    33-38页
    查看更多>>摘要：Electrocatalytic carbon dioxide reduction reaction(eCO2RR)represents one of the most promising technologies for sustainable conversion of CO2 to value-added products.Although metal-organic frameworks(MOFs)can be vastly functionalized to create active sites for CO2RR,low intrinsic electrical conductivity always makes MOFs unfavorable candidates for eCO2RR.Besides,studies on how to regulate eCO2RR activity of MOFs from linkers'functionalities viewpoint lag far behind when compared with the assembly of multinuclear metal-centered clusters.In this work,non-toxic bismuth(Ⅲ)oxide(Bi2O3)was incorporated into a series of two-dimensional(2D)MOFs(ZrLX)established from Zr-oxo clusters and triazine-centered 3-c linkers with different functionalities(LX=1-5)to give composites ZrLX/Bi2O3.To investigate how functionalities on linkers distantly tune the eCO2RR performance of MOFs,electron-donating/withdrawing groups were installed at triazine core or benzoate terminals.It is found that ZrL2/Bi2O3(-F functionalized on triazine core)exhibits the best eCO2RR performance with the highest Faradaic efficiency(FE)of 96.73％at-1.07 V vs.RHE,the largest electroactive surface(Cdi=4.23 mF cm-2)and the highest electrical conductivity(5.54 x 10-7 S cm-1),highlighting tuning linker functionalities and hence electronic structure as an alternative way to regulate eCO2RR.
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    Mn-modulated Co-N-C oxygen electrocatalysts for robust and temperature-adaptative zinc-air batteries

    Shaojie DingHenan WangXiaojing DaiYuru Lv...
    39-46页
    查看更多>>摘要：Flexible zinc-air batteries(FZABs)are featured with safety and high theoretical capacity and become one of the ideal energy supply devices for flexible electronics.However,the lack of cost-effective electrocatalysts remains a major obstacle to their commercialization.Herein,we synthesized a porous dodecahedral nitrogen-doped carbon(NC)material with Co and Mn bimetallic co-embedding(CoxMni-x@NC)as a highly efficient oxygen reduction reaction(ORR)catalyst for ZABs.The incorporation of Mn effectively modulates the electronic structure of Co sites,which may lead to optimized energetics with oxygen-containing intermediates thereby significantly enhancing catalytic performance.Notably,the optimized Co4Mn1@NC catalyst exhibits superior E1/2(0.86 V)and jL(limiting current density,5.96 mA cm-2)compared to Pt/C and other recent reports.Moreover,aqueous ZAB using Co4Mn1@NC as a cathodic catalyst demonstrates a high peak power density of 163.9 mW cm-2 and maintains stable charging and discharging for over 650 h.Furthermore,FZAB based on Co4Mn1@NC can steadily operate within the temperature range of-10 to 40 ℃,demonstrating the potential for practical applications in complex climatic conditions.
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    Pressure-induced emission in 0D metal halide(EATMP)SbBr5 by regulating exciton-phonon coupling

    Jiayuan LiangXin MiSonghao GuoHui Luo...
    47-53页
    查看更多>>摘要：Zero-dimensional(0D)hybrid metal halides are considered as promising light-emitting materials due to their unique broadband emission from self-trapped excitons(STEs).Despite substantial progress in the development of these materials,the photoluminescence quantum yields(PLQY)of hybrid Sb-Br analogs have not fully realized the ca-pabilities of these materials,necessitating a better fundamental understanding of the structure-property relation-ship.Here,we have achieved a pressure-induced emission in 0D(EATMP)SbBr5(EATMP=(2-aminoethyl)trimethylphosphanium)and the underlying mechanisms are investigated using in situ experimental characterization and first-principles calculations.The pressure-induced reduction in the overlap between the STE states and ground states(GSs)results in the suppression of phonon-assisted non-radiative decay.The photoluminescence(PL)evo-lution is systematically demonstrated to be controlled by the pressure-regulated exciton-phonon coupling,which can be quantified using Huang-Rhys factorS.Through detailed studies of the S-PLQY relation in a series of 0D hybrid antimony halides,we establish a quantitative structure-property relationship that regulating S value toward 21 leads to the optimized emission.This work not only sheds light on pressure-induced emission in 0D hybrid metal halides but also provides valuable insights into the design principles for enhancing the PLQY in this class of materials.
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    MXene-based materials for separator modification of lithium-sulfur batteries

    Fangling CuiZongjie HuJiayu HuangXiaoju Li...
    54-64页
    查看更多>>摘要：Lithium-sulfur(Li-S)batteries are one of the promising energy storage systems.However,rapid capacity attenuation caused by shuttle effect of soluble polysulfides is a major challenge in practical application.The separator modification is one complementary countermeasure besides the construction of sulfur host materials in cathode.MXene is one type of outstanding candidates for promoting redox kinetics of sulfur species.Herein,recent advances of MXene-based materials as separator modifiers are summarized.The importance of high conductivity and catalytic effects in promoting catalytic conversion of polysulfides and suppressing shuttle effect of polysulfides has been highlighted,and the superiority of MXene for improving reversible capacity and cycling stability has been demonstrated.New strategies for the design of MXene-based separator modifiers are proposed to improve energy density and lifetime.The review provides new perspectives for future development of high-performance Li-S batteries.
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