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Journal of Energy chemistry 2021年第8期30卷 212-219,I0005页

作者： Shanyong ch.n ch.ngch.ng Lv ling liu Muhong Li Jian liu Jinyang Ma Panpan Hao Xuan Wang Weiping Ding Mingjiang Xie Xuefeng Guo Key Lab of Mesoscopic chemistry MOE School of Chemistry and Chemical EngineeringNanjing UniversityNanjing 210023China Hubei Key Laboratory for Processing and Application of Catalytic Materials Huanggang Normal UniversityHuanggang 438000China

Development of high-performance and cost-effective catalysts for electrocatalytic hydrogen evolution reaction(HER)play crucial role in the growing hydrogen ***,the atomically dispersed metal catalysts have attracted increasing attention due to their ultimate atom utilization and great potential for highly cost-effective and high-efficiency HER ***,we propose a hightemperature treatment strategy to furtherly improve the HER performance of atomically dispersed Ptbased ***,after appropriate high-temperature treatment on the atomically dispersed Pt0.8@Cn,the Pt species on the designed n-doped porous carbon substrate with rich defect sites can be re-dispersed to single atom state with new coordination *** obtained Pt0.8@Cn-1000 shows superior HER performance with overpotential of 13 m V at 10 m A cm^(-2)and mass activity of 11,284 m A/mgPtat-0.1 V,much higher than that of the pristine Pt0.8@Cn and commercial Pt/C *** experimental and theoretical investigations indicate that the high-temperature treatment induces the restructuring of coordination environment and then the optimized Pt electronic state leads to the enhanced HER *** work affords new strategy and insights to develop the atomically dispersed high-efficiency catalysts.

关键词： High-temperature treatment Atomically dispersed metal catalyst Coordination environment Hydrogen evolution reaction

Fluorinated metal-organic framework for methane purification from a ternary ch_(4)/C_(2)H_(6)/C_(3)H_(8)mixture

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ch.nese Journal of Structural chemistry 2023年第11期42卷 50-54页

作者： Ke-Ai Zhou Lian Huang Xing-Ping Fu Li-ling Zhang Yu-ling Wang Qing-Yan liu College of chemistry and chemical Engineering Jiangxi Normal UniversityNanchang330022PR China Department of Ecological and Resources Engineering Fujian Key Laboratory of Eco-industrial Green TechnologyWuyi UniversityWuyishanFujian354300PR China

Herein we present a fluorinated metal-organic framework of{(Me_(2)nH_(2))[ni_(3)(μ_(3)-OH)(CF_(3)-BPDC-CF_(3))_(3)(tpt)]}_(n)(1)constructed from 2,2'-bis(trifluoromethyl)biphenyl-4,4'-dicarboxylic(CF_(3)-BPDC-CF_(3)^(2-))and 2,4,6-tri(4-pyridyl)-1,3,5-triazine(tpt)ligands,which is developed for separating propane(C_(3)H_(8))and ethane(C_(2)H_(6))from natural *** 1 preferentially adsorbs C_(3)H_(8)and C_(2)H_(6)over ch_(4)demonstrated by gas adsorption *** presence of trifluoromethyl groups on the biphenyl-4,4'-dicarboxylic ligands facilitates the highly polarized micropore environments for compound 1,thus providing suitable micorpores for capturing the C_(3)H_(8)and C_(2)H_(6)molecules with larger polarizabilities and sizes compared to ch_(4)*** dynamic mixture breakthrough experiments showed that compound 1 can separate C_(3)H_(8)and C_(2)H_(6)from the ternary ch_(4)/C_(2)H_(6)/C_(3)H_(8)mixtures efficiently,endowing compound 1 with excellent methane purification ability.

关键词： Gases separation Propane and ethane adsorption Fluorinated MOF Crystal structure natural gas purification

Synthesis,crystal structures,and antibacterial activities of two zinc(Ⅱ) complexes bearing 5⁃phenyl⁃1H⁃pyrazole group

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无机化学学报 2024年第10期40卷 1986-1994页

作者： liu chao WU Jiang JIn Zhaolei School of chemistry and chemical Engineering Suzhou UniversitySuzhouAnhui 234000China Anhui Key Laboratory of Spin Electron and nanomaterials SuzhouAnhui 234000China

A novel compound(H_(2)L)SCn(5⁃methyl⁃3⁃phenyl⁃2H⁃pyrazol⁃1⁃ium thiocyanate)has been obtained by the reaction of thiosemicarbazide with benzoylacetone in *** zinc􀃭complexes[Zn(HL)_(2)(nCS)(ch_(3)COO)](1)and[Zn_(2)(L)_(2)(HL)_(2)(nCS)_(2)]_(2)·2ch_(3)OH(2)have been synthesized by the coordination reactions of Zn(OAc)_(2)·2H_(2)O or ZnCl_(2)with(H_(2)L)SCn under reflux *** analyses and single⁃crystal X⁃ray diffraction have con⁃firmed the structures of the synthesized ***(H_(2)L)SCn ligand and complex 1 pertain to the triclinic sys⁃tem with space group P1,while complex 2 belongs to the monoclinic system with space group P2_(1)/***,the antibacterial activities of the compounds were evaluated in vitro using the agar diffusion method against the bac⁃terial strains(Candida albicans,Staphylococcus aureus,and Escherichia coli).The results showed that the ligand exhibited relatively good antibacterial activities against the bacteria,and the complexes possessed stronger antibac⁃terial activities against the same bacteria than the free ***:2190252,(H2L)SCn;2190253,1;2190256,2.

关键词： zinc􀃭complex 5⁃phenyl⁃1H⁃pyrazole thiocyanate crystal structure bacteria

异腈化合物插入到配合物CpW（nO）（n-C_5H_（11））（η~3-ch_2chchMe）金属-碳键的反应机理

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无机化学学报 2012年第3期28卷 551-559页

作者：刘凌君毕思玮袁相爱凌宝萍孙海涛李平曲阜师范大学化学与化工学院曲阜273165

本文利用密度泛函理论研究了异睛化合物中Cn基团插入到CpW(nO)(C5H11)(η3-ch2chchMe)(A)中W-C键中的反应机制。研究发现,异腈插入到W-C键过程实际上是一个烷基迁移过程;相对于烯丙基,正戊基迁移到异腈碳原子上在热力学、动力学上更有... 详细信息

本文利用密度泛函理论研究了异睛化合物中Cn基团插入到CpW(nO)(C5H11)(η3-ch2chchMe)(A)中W-C键中的反应机制。研究发现,异腈插入到W-C键过程实际上是一个烷基迁移过程;相对于烯丙基,正戊基迁移到异腈碳原子上在热力学、动力学上更有利。提出了插入产物(B)与其环状异构体(C)之间的平衡转化机理,同时发现C为Fischer型金属卡宾配合物,金属中心具有d6电子构型。

关键词：密度泛函反应机理迁移插入异腈异构化

单原子Ru_(1)-n_(x)/C(α=3,4)催化剂活化H_(2)、H_(2)0和ch_(3)OH的理论研究

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化学研究与应用 2024年第10期36卷 173-178页

作者：张寅胜苟进韬刘挺豪杨华清四川大学化学工程学院四川成都610065

在CGA-PBE/DnP水平下,构建了两种氮掺杂石墨烯负载Ru单原子催化剂,记作Ru_(1)-n_(x)(x=3,4)。在热力学上,Ru_(1)-n_(4)/C比Ru_(1)-n_(3)/C更稳定。研究了Ru_(1)-n_(x)(x=3,4)对H_(2)、H_(2)O和ch_(3)OH的活化性能。H_(2)、H_(2)O和ch_(3)OH在Ru-ns/C上的化学吸附比在Ru-n_(4)/C上的化学吸附更强。同时,在实验温度下,它们在Ru_(1)-n_(x)(x=3,4)上的解离均为吸能反应。在动力学上,Ru_(1)-n_(4)/C活化解离Hz、H_(2)O和ch_(3)OH的能力均强于Ru_(1)-n_(3)/C。在水溶液中,两种催化剂对H,的活化较H_(2)O更强。在甲醇溶液中,Ru_(1)-n_(4)/C对ch_(2)OH的活化强于对H_(2)的活化;Ru_(1)-n_(4)/C对H_(2)的活化强于对ch_(3)OH的活化。

关键词： GGA-PBE Ru_(1)-n_(x)/C H_(2) H_(2)O ch_(3)OH 活化

The ALMA-QUARKS Survey.Ⅰ.Survey Description and Data Reduction

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Research in Astronomy and Astrophysics 2024年第2期24卷 104-124页

作者：刘训川 Tie liu Lei Zhu Guido Garay Hong-Li liu Paul Goldsmith neal Evans Kee-Tae Kim Sheng-Yuan liu Fengwei Xu Xing Lu Anandmayee Tej Xiaofeng Mai Leonardo Bronfman Shanghuo Li Diego Mardones Amelia Stutz Ken'ichi Tatematsu Ke Wang Qizhou Zhang Sheng-Li Qin Jianwen Zhou Qiuyi Luo Siju Zhang Yu ch.ng Jinhua He Qilao Gu Ziyang Li Zhenying Zhang Suinan Zhang Anindya Saha Lokesh Dewangan Patricio Sanhueza Zhiqiang Shen Shanghai Astronomical Observatory Chinese Academy of SciencesShanghai 200030China ch.nese Academy of Sciences South America Center for Astronomy National Astronomical ObservatoriesChinese Academy of SciencesBeijing 100101China Departamento de Astronomía Universidad de ChileLas Condes7591245 SantiagoChile School of Physics and Astronomy Yunnan UniversityKunming 650091China Jet Propulsion Laboratory California Institute of Technology4800 Oak Grove DrivePasadena CA 91109USA Department of Astronomy The University of Texas at AustinTX 78712-1205USA Korea Astronomy and Space Science Institute 776 Daedeokdae-roYuseong-guDaejeon 34055Republic of Korea Institute of Astronomy and Astrophysics Academia SinicaRoosevelt RoadTaipei 10617China Kavli Institute for Astronomy and Astrophysics Peking UniversityBeijing 100871China Department of Astronomy School of PhysicsPeking UniversityBeijing 100871China Indian Institute of Space Science and Technology Thiruvananthapuram 695547KeralaIndia Max Planck Institute for Astronomy Königstuhl 17D-69117 HeidelbergGermany Departamento de Astronomía Universidad de ConcepciónCasilla 160-CConcepciónChile nobeyama Radio Observatory National Astronomical Observatory of JapanNational Institutes of Natural Sciences462-2 NobeyamaMinamimakiMinamisakuNagano 384-1305Japan Center for Astrophysics∣Harvard&Smithsonian 60 Garden StreetCambridgeMA 02138USA Max-Planck-Institut für Radioastronomie Auf dem Hügel 69D-53125 BonnGermany School of Astronomy and Space Sciences University of Chinese Academy of SciencesBeijing 100049China national Astronomical Observatory of Japan 2-21-1 OsawaMitakaTokyo181-8588Japan Yunnan Observatories Chinese Academy of SciencesKunming 650216China Physical Research Laboratory NavrangpuraAhmedabad-380009India Astronomical Science Program The Graduate University for Advanced StudiesSOKENDAI2-21-1 OsawaMitakaTokyo 181-8588Japan University of Science and Technology Korea(UST)217 Gajeong-roYuseong-guDaejeon 34113Republic o

This paper presents an overview of the QUARKS survey,which stands for Querying Underlying mech.nisms of massive star formation with ALMA-Resolved gas Kinematics and Structures."The QUARKS survey is observing139 massive clumps covered by 156 pointings at Atacama Large Millimeter/submillimeter Array(ALMA)Band 6(λ~1.3 mm).In conjunction with data obtained from the ALMA-ATOMS survey at Band 3(λ~3 mm),QUARKS aims to carry out an unbiased statistical investigation of massive star formation process within protoclusters down to a scale of 1000 *** overview paper describes the observations and data reduction of the QUARKS survey,and gives a first look at an exemplar source,the mini-starburst Sgr B2(M).The wide-b and width(7.5 GHz)and high-angular-resolution(~0."3)observations of the QUARKS survey allow for the resolution of much more compact cores than those could be done by the ATOMS survey,and to detect previously unrevealed fainter filamentary *** spectral windows cover transitions of species including CO,SO,n_(2)D^(+),SiO,H_(30)α,H_(2)CO,ch_(3)Cn,and many other complex organic molecules,tracing gas components with different temperatures and spatial *** aims to deepen our understanding of several scientific topics of massive star formation,such as the mass transport within protoclusters by(hub-)filamentary structures,the existence of massive starless cores,the physical and chemical properties of dense cores within protoclusters,and the feedback from already formed high-mass young protostars.

关键词： stars formation-stars kinematics and dynamics-ISM clouds-ISM molecules

Experimental measurements of gamma-photon production and estimation of electron/positron production on the PETAL laser facility

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Matter and Radiation at Extremes 2024年第5期9卷 32-47页

作者： F.Brun L.Ribotte G.Boutoux X.Davoine P.E.Masson-Laborde Y.Sentoku n.Iwata n.Blanchot D.Batani I.Lantuéjoul L.Lecherbourg B.Rosse C.Rousseaux B.Vauzour D.Raffestin E.D’Humières X.Ribeyre Centre Lasers Intenses et Applications UMR 5107Universitéde Bordeaux-CNRS-CEA33405 TalenceFrance CEA DAMCESTAF-33116 Le BarpFrance CEA DAMDIFF-91297 ArpajonFrance CEA LMCEUniversitéParis-Saclay91680 Bruyères-le-ChâtelFrance Institute of Laser Engineering Osaka University2-6 YamadaokaSuitaOsaka 565-0871Japan

This article reports the first measurements of high-energy photons produced with the high-intensity PETawatt Aquitaine Laser(PETAL)*** experiments were performed during the commissioning of the *** laser had an energy of about 400 J,an intensity of 8×10^(18)W cm^(−2),and a pulse duration of 660 fs(FWHM).It was shot at a 2 mm-thick solid tungsten *** high-energy photons were produced mainly from the bremsstrahlung process for relativistic electrons accelerated inside a plasma generated on the front side of the *** paper reports measurements of electrons,protons and *** electrons up to35 MeV with a few-MeV temperature were recorded by a spectrometer,called SESAME(SpectreÉlectronS Angulaire MoyenneÉnergie).K-and L-shells were clearly detected by a photon spectrometer called SPECTIX(Spectromètre PetalàCristal en TransmIssion pour le rayonnnement X).High-energy photons were diagnosed by CRACC-X(Cassette de RAdiographie Centre chambre-rayonnement X),a bremsstrahlung *** cannon analysis is strongly dependent on the hypothesis adopted for the spectral *** shapes can exhibit similar reproductions of the experimental *** eliminate dependence on the shape hypothesis and to facilitate analysis of the data,simulations of the interaction were *** model the mech.nisms involved,a simulation chain including hydrodynamic,particle-in-cell,and Monte Carlo simulations was *** simulations model the preplasma generated at the front of the target by the PETAL laser prepulse,the acceleration of electrons inside the plasma,the generation of MeV-range photons from these electrons,and the response of the detector impacted by the energetic photon *** this work enabled reproduction of the experimental *** high-energy photons produced have a large emission angle and an exponential distribution *** addition to the analysis of the photon spectra,positron production was also ***,if high

关键词： process. positron hypothesis

Standardizing MI-TLIF, a Proposal for a Reproducible Technique

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施用生物炭和秸秆还田对农田温室气体排放及增温潜势的影响

Open Journal of Modern neurosurgery（现代神经外科学进展） 2024年第2期 91页

作者： Iván Ulises Sámano López Jesús Alberto Pérez Contreras Emmanuel Cantú chávez Diana chávez Lizárraga Ana Sofía Peña Blesa Thania Karina Gutiérrez Anch.ndo

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中国农业科学 2024年第5期57卷 935-949页

作者：高尚洁刘杏认李迎春柳晓婉中国农业科学院农业环境与可持续发展研究所

【目的】农业生态系统增温潜势是影响全球气候变化的重要部分。本研究通过田间试验明确施用生物炭和秸秆还田对农田增温潜势的影响，以期为减缓气候变化和农业废弃物资源化利用提供理论依据。【方法】在山东省桓台县农业生态系统试验站... 详细信息

【目的】农业生态系统增温潜势是影响全球气候变化的重要部分。本研究通过田间试验明确施用生物炭和秸秆还田对农田增温潜势的影响，以期为减缓气候变化和农业废弃物资源化利用提供理论依据。【方法】在山东省桓台县农业生态系统试验站的冬小麦-夏玉米轮作农田中开展了3年田间定位试验，试验共设置4个处理：①对照(CK)；②施用生物炭9.0t·hm-2·a-1(C)；③全量秸秆还田(S)；④秸秆还田配施9.0 t·hm-2·a-1生物炭(CS)。4个处理均施等量的氮磷钾化肥，其中氮肥为尿素，用量为200 kg·hm-2·a-1，磷肥为过磷酸钙，用量为55 kg·hm-2·a-1，钾肥为硫酸钾，用量为40 kg·hm-2·a-1。采用静态暗箱-气相色谱法测定各处理温室气体(CO2、n2O和ch4)的排放通量并计算净全球增温潜势(nGWP)和温室气体排放强度(GHGI)，分析连续施用生物炭和秸秆还田对农田温室气体排放及增温潜势的影响。【结果】(1)综合3年的温室气体排放情况，与CK处理相比，S和CS处理的年平均生态呼吸排放量(Re)分别增加了47.8%和67.9%(Pn2O累积排放量降低了20.3%(Pn2O年平均累积排放量分别增加了23.6%和41.4%(PnGWP和GHGI均存在显著差异，与CK相比，C、S和CS处理的年平均nGWP分别降低了163.5%、171.7%和273.0%(PnGWP均有显著降低(P<0.05)，分别降低了73.4%、58.8%和54.7%。与CK相比，C、S和CS处理的年平均GHGI分别降低了236.2%、253.3%和388.9%(P<0.05),C、S和CS处理第3年的GHGI较第1年分别降低了126.3%、98.2%和108.6%(P<0.05)。就产量而言，C、S和CS处理的作物产量保持相对稳定，有轻微增长，但与CK相比无显著差异。【结论】与单施化肥相比，在施化肥的基础上添加生物炭、秸秆还田、秸秆还田配施生物炭的措施均能够在不影响作物产量的前提下抑制增温潜势，其中秸秆还田配施生物炭能够最大程度地降低农田增温潜势，因此秸秆还田配施生物炭是增加农田固碳、缓解气候变化的一项有效措施。

关键词：生物炭秸秆还田温室气体冬小麦-夏玉米轮作土壤有机碳变化量净全球增温潜势温室气体排放强度

八核铁簇化合物的制备、表征及其对高氯酸铵的热分解催化

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含能材料 2024年第5期32卷 484-491页

作者：黄琪刘丽金波彭汝芳西南科技大学环境友好能源材料国家重点实验室四川绵阳621010 西南科技大学材料与化学学院四川绵阳621010

以5,5′-{[3,3′-双(1,2,4-噁二唑)]-5,5′-基}-双(1-羟基四唑)为配体,通过溶剂热法制备了一种新型含能铁簇化合物[Fe_(2)Ⅲ(μ2-ch_(3)O)(μ_(3)-OH)(μ_(2)-O)(BODTO^(2-))(H_(2)O)]4(1),并对其进行了单晶X-射线衍射、差示扫描量热和热重分析等表征,分析了其结构和热稳定性,同时通过差热分析仪研究了化合物1对高氯酸铵(AP)热分解的催化性能。测试结果表明,化合物1为立方晶系I-43d空间群,密度为1.506 g·cm^(-3);晶体结构中Fe^(3+)与Fe^(3+)通过氧原子桥联,形成笼状结构;热分解峰值温度为513.9,617.6 K和669.4 K;爆速为6.94 km·s^(-1),爆压为19.09 GPa;撞击感度为15 J,摩擦感度为360 n。当添加质量分数为10%的化合物1时,AP的高温分解温度降低65 K,活化能降低82.2 kJ·mol^(-1),证实该铁簇化合物对AP的热分解具有较好的催化活性,具有应用于含能燃烧催化剂的潜质。

关键词：含能配合物铁簇高氯酸铵热分解热催化