检索结果-南通市图书馆

Remote substituent effects on catalytic activity of metal-organic frameworks: a linker orbital energy model

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

npj Computational Materials 2023年第1期9卷 1747-1755页

作者： Zhenzhen Wang Huan Meng xuejiao j.gao jia-jia Zheng Xingfa gao Laboratory of Theoretical and Computational Nanoscience National Center for Nanoscience and Technology of ChinaBeijingChina CAS Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety National Center for Nanoscience and Technology of ChinaBeijingChina College of Chemistry and Chemical Engineering Jiangxi Normal UniversityNanchangChina

The Hammett equation is commonly used to theoretically depict the remote electronic effects of substituents on catalytic activitiesof metal nodes of metal-organic frameworks (MOFs). However, the application of the theory to MOF catalysts usually encountersproblems because it relies heavily on empirical parameters with unknown transferability. To develop an alternative predictiontheory, the linker orbital energy model has been proposed by density functional theory calculations. The model provides a simplemethod to approximately depict the remote electronic substituent effects on catalytic activities of metal nodes of MOFs, and itsgeneral applicability to MOFs is supported by extensively revisiting the structure-activity relationships reported in the *** model can be used to design catalytic activity of metal nodes of MOFs by engineering the electronic properties of linkers andsubstituents.

关键词： substituent catalytic orbital

Largeπ-conjugated indium-based metal-organic frameworks for high‐performance electrochemical conversion of CO_(2)

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Nano Research 2023年第7期16卷 8743-8750页

作者： Zengqiang gao Yue Gong Yating Zhu junjie Li Li Li Yongxia Shi Man Hou xuejiao j.gao Zhicheng Zhang Wenping Hu Department of Chemistry School of ScienceTianjin Key Laboratory of Molecular Optoelectronic SciencesTianjin UniversityTianjin 300072China College of Chemistry and Chemical Engineering Jiangxi Normal UniversityNanchang 330022China Haihe Laboratory of Sustainable Chemical Transformations Tianjin 300192China CAS Key Laboratory of Standardization and Measurement for Nanotechnology CAS Center for Excellence in NanoscienceNational Center for Nanoscience and TechnologyBeijing 100190China joint School of National University of Singapore and Tianjin University International Campus of Tianjin UniversityBinhai New CityFuzhou 350207China

The active site engineering of electrocatalysts,as one of the most economical and technological approaches,is a promising strategy to enhance the intrinsic activity and selectivity towards electrochemical CO_(2)reduction ***,an indium-based porphyrin framework(In-TCPP)with a well-defined structure,highly dispersed catalytic center,and good stability was constructed for efficient CO_(2)-to-formate ***-TCPP could achieve a high Faraday efficiency for formate(90%)and a cathodic energy efficiency of 63.8%in flow *** situ attenuated total reflectance Fourier transform infrared spectroscopy and density functional theory calculation confirm that the crucial intermediate is*COOH species which contributes to the formation of *** work is expected to provide novel insights into the precise design of active sites for high-performance electrocatalysts towards electrochemical CO_(2)reduction reaction.

关键词： electrochemical CO_(2)reduction metal-organic framework porphyrin indium formate

Confined interface engineering of self-supported Cu@N-doped graphene for electrocatalytic CO_(2) reduction with enhanced selectivity towards ethanol

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Nano Research 2022年第10期15卷 8872-8879页

作者： Dejin Zang xuejiao jgao Leyun Li Yongge Wei Haiqing Wang Institute of Materia Medica Shandong First Medical University&Shandong Academy of Medical SciencesJinan 250117China Institute for Advanced Interdisciplinary Research(iAIR) School of Chemistry and Chemical EngineeringUniversity of JinanJinan 250022China College of Chemistry and Chemical Engineering Jiangxi Normal UniversityNanchang 330022China Key Lab of Organic Optoelectronics&Molecular Engineering of Ministry of Education Department of ChemistryTsinghua UniversityBeijing 100084China

Electroreduction of greenhouse gas CO_(2) into value-added fuels and chemicals provides a promising pathway to address the issues of energy crisis and environmental ***,the regulations of the selectivity towards C2 product and the competing hydrogen evolution reaction(HER)are major challenges for CO_(2) reduction reaction(CO_(2)RR).Here,we develop an interface-enhanced strategy by depositing a thin layer of nitrogen-doped graphene(N-G)on a Cu foam surface(Cu-N-G)to selectively promote the ethanol pathway in CO_(2)*** to the undetectable ethanol selectivity of pure Cu and Cu@graphene(Cu-G),Cu-N-G has boosted the ethanol selectivity to 33.1%in total Faradic efficiency(FE)at−0.8 V *** hydrogen electrode(RHE).The experimental and density functional theory(DFT)results verify that the interconnected graphene coating can not only serve as the fast charge transport channel but also provide confined nanospace for mass *** N doping can not only trigger the intrinsic interaction between N in N-G and CO_(2) molecule for enriching the local concentration of reactants but also promote the average valence state of Cu for C–C coupling *** confinement effect at the interface of Cu-N-G can not only provide high adsorbed hydrogen(Had)coverage but also stabilize the key*HCCHOH intermediate towards ethanol *** provided interface-enhanced strategy herein is expected to inspire the design of Cubased CO_(2)RR electrocatalysts towards multi-carbon products.

关键词： CO_(2)reduction Cu-based catalyst Cu/N-doped carbon interface engineering C2 production

The Synergistic Effect of Endohedral Metal and Chemical Multi-addition on the Stability of Fullerene

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

The Synergistic Effect of Endohedral Metal and Chemical Mult...

The“depict”strategy for discovering new compounds in complex matrices:Lycibarbarspermidines as a case

中国化学会第八届全国物理无机化学学术会议

作者： xuejiao j.gao Xingfa gao College of Chemistry and Chemical Engineering Jiangxi Normal University

Fullerenes are the third allotrope of carbon besides graphite and *** are cage-like molecules which are only constructed by *** inner cavities of fullerenes have diameters of about 1 nm, which allow fullerene to encapsulate metal or metal cluster forming endohedral metallofullerenes(EMFs).Fullerenes and EMFs are promising nanomaterials with potential applications in biomedical, photo sensor, solar cell and etc.

关键词：

来源： cnki会议评论

在线全文

cnki会议

学校读者我要写书评

暂无评论

journal of Pharmaceutical Analysis 2024年第3期14卷 416-426页

作者： Chen Han Zhixin Zhang Zhiyang Feng Chuanjia Zhai xuejiao Li Yulian Shi Xiang Li Miao Li Ying Wang Gan Luo Xiaoyan gao Department of Chinese Medicine Analysis School of Chinese Materia MedicaBeijing University of Chinese MedicineBeijing102488China

The comprehensive detection and identification of active ingredients in complex matrices is a crucial *** chromatography coupled with high-resolution mass spectrometry(LC-HRMS)is the most prominent analytical platform for the exploration of novel active compounds from complex ***,the LC-HRMS-based analysis workflow suffers from several bottleneck issues,such as trace content of target compounds,limited acquisition for fragment information,and uncertainty in interpreting relevant MS2 *** are vital antioxidant active ingredients in Lycii Fructus,while the reported structures are merely focused on dicaffeoylspermidines due to their low *** comprehensively detect the new structures of lycibarbarspermidine derivatives,a“depict”strategy was developed in this ***,potential new lycibarbarspermidine derivatives were designed according to the biosynthetic pathway,and a comprehensive database was established,which enlarged the coverage of lycibarbarspermidine ***,the polarity-oriented sample preparation of potential new compounds increased the concentration of the target ***,the construction of the molecular network based on the fragmentation pathway of lycibarbarspermidine derivatives broadened the comprehensiveness of ***,the weak response signals were captured by data-dependent scanning(DDA)followed by parallel reaction monitoring(PRM),and the efficiency of acquiring MS2 fragment ions of target compounds was significantly *** on the integrated strategy above,210 lycibarbarspermidine derivatives were detected and identified from Lycii Fructus,and in particular,170 potential new compounds were structurally *** integrated strategy improved the sensitivity of detection and the coverage of low-response components,and it is expected to be a promising pipeline for discovering new compounds.

关键词： Mass spectrometric detection Weak response signals Complex matrices Novel lycibarbarspermidines

双金属酞菁异质结构高选择性电催化CO_(2)还原

在线全文

维普期刊数据库

学校读者我要写书评

暂无评论

Science China Materials 2022年第1期65卷 155-162页

作者：杨宸槐高增强王定佳李舒豫李俊俊朱亚廷王海青杨文娟高雪娇张志成胡文平 Tianjin Key Laboratory of Molecular Optoelectronic Sciences Department of ChemistrySchool of ScienceTianjin UniversityTianjin 300072China College of Chemistry and Chemical Engineering Jiangxi Normal UniversityNanchang 330022China Collaborative Innovation Center of Technology and Equipment for Biological Diagnosis and Therapy in Universities of Shandong Institute for Advanced Interdisciplinary Research(iAIR)University of JinanJinan 250022China SZU-NUS Collaborative Innovation Centre for Optoelectronic Science&Technology International Collaborative Laboratory of 2D Materials for Optoelectronics Science and Technology of Ministry of EducationInstitute of Microscale OptoelectronicsShenzhen UniversityShenzhen 518060China

自工业革命以来,化石燃料的大量消耗导致大气中CO_(2)浓度显著增加,引发了全球气候变暖等问题.电化学CO_(2)还原能够利用可再生能源产生的间歇性电力可持续地将CO_(2)转化为高附加值化学品或燃料,是实现碳中和的有效途径.目前,非均相分... 详细信息

自工业革命以来,化石燃料的大量消耗导致大气中CO_(2)浓度显著增加,引发了全球气候变暖等问题.电化学CO_(2)还原能够利用可再生能源产生的间歇性电力可持续地将CO_(2)转化为高附加值化学品或燃料,是实现碳中和的有效途径.目前,非均相分子催化剂如金属酞菁能够有效催化CO_(2)还原反应(CO_(2)RR),但是分子催化剂异质结构的合理设计与合成仍极具挑战.基于此,我们发展了一种具有高结晶度的双金属酞菁异质结构(CoPc/FePc HS),其电催化CO_(2)还原为CO的法拉第效率高达99%,并在运行10小时后性能基本保持不变.密度泛函理论计算表明,FePc和CoPc之间不同的电子转移模式能够有效提高CO_(2)RR性能.构筑分子催化剂异质结构有望成为CO_(2)RR性能提升的有效策略.

关键词：金属酞菁密度泛函理论计算电催化异质结构可再生能源高选择性化石燃料有效策略

Distributed Secondary Control Based on Dynamic Diffusion Algorithm for Current Sharing and Average Voltage Regulation in DC Microgrids

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

journal of Modern Power Systems and Clean Energy 2024年第2期12卷 597-607页

作者： Dawei Liao Fei gao Daniel j.Rogers Wentao Huang Dong Liu Houjun Tang Department of Electrical Engineering Shanghai Jiao Tong UniversityShanghaiChina Department of Engineering Science University of OxfordOxford OX12JDU.K. IEEE

This paper introduces a distributed secondary control scheme for achieving current sharing and average voltage regulation objectives in a DC *** proposed scheme employs a dynamic diffusion algorithm(DDA)instead of the consensus algorithm to enable distributed communication among *** help understand DDA,the relation of DDA and other diffusion algorithms is discussed in detail and its superiority is shown by comparison with diffusion and consensus ***,considering the discrete nature and different sampling time of the digital controller and communication network,a z-domain model of the entire DC microgrid is *** influence of communication and secondary control parameters on the system stability is *** on the established model,the tolerable communication rates are ***-time simulations conducted on the OPAL-RT platform validate the effectiveness of the proposed scheme,showcasing its advantages in terms of convergence speed and stability.

关键词： Cooperative control DC microgrid diffusion algorithm discrete-time modeling distributed secondary control

Semitransparent organic solar cells with high light utilization efficiency and color rendering index

维普期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Science China Chemistry 2024年第7期67卷 2248-2256页

作者： Ni gao Haijun Bin Shangrong Wu RenéA.j.janssen Yongfang Li Laboratory of Advanced Optoelectronic Materials Suzhou Key Laboratory of Novel Semiconductor Materials and DevicesCollege of ChemistryChemical Engineering and Materials ScienceSoochow UniversitySuzhou 215123China jiangsu Key Laboratory of Advanced Negative Carbon Technologies Soochow UniversitySuzhou 215123China Molecular Materials and Nanosystems&Institute for Complex Molecular Systems Eindhoven University of TechnologyEindhoven 5600 MBthe Netherlands

Semitransparent organic solar cells(ST-OSCs)have garnered considerable attention as promising renewable energy technology for integrating photovoltaics into ***,there is a trade-off between power conversion efficiency(PCE)and average visible transmittance(AVT),which hinders the achievement of a high light utilization efficiency(LUE).In this study,we propose a valuable method to address this challenge by replacing the transparent top electrode,Ag,with a 20 nm layer of *** ST-OSCs based on the 20 nm Au electrode demonstrate superior exciton extraction,more efficient charge collection,and higher color-rendering index(CRI)due to their smoother surface,higher conductivity,and enhanced visible light transmittance,resulting in a significantly higher PCE of 13.67%and an enhanced AVT of 30.17%,contributing to a high LUE of 4.15%.Additionally,optically transparent dielectric layers,applied on the front and back sides of the ST-OSCs to further boost performance,delivered an impressive LUE of 4.93%,with PCE and AVT values reaching 14.44%and 34.12%,***,the champion ST-OSCs also exhibited a favorable CRI value of *** achievements represent the bestperforming ST-OSCs to date with both high LUE and CRI and hold significant implications for the prospective commercialization of ST-OSCs.

关键词： semitransparent organic solar cells power conversion efficiency average visible transmittance light utilization efficiency color-rendering index

A novel cascaded H-bridge photovoltaic inverter with flexible arc suppression function

维普期刊数据库

同方期刊数据库

同方期刊数据库评论

在线全文

学校读者我要写书评

暂无评论

Global Energy Interconnection 2024年第4期7卷 513-527页

作者： junyi Tang Wei gao College of Electrical Engineering and Automation Fuzhou UniversityFuzhou 350108P.R.China

This paper presents a novel approach that simultaneously enables photovoltaic(PV)inversion and flexible arc suppression during single-phase grounding *** compensate for ground currents through an arc-elimination function,while outputting a PV direct current(DC)power *** method effectively reduces the residual grounding *** reduce the dependence of the arc-suppression performance on accurate compensation current-injection models,an adaptive fuzzy neural network imitating a sliding mode controller was *** online adaptive adjustment law for network parameters was developed,based on the Lyapunov stability theorem,to improve the robustness of the inverter to fault and connection ***,a new arc-suppression control exit strategy is proposed to allow a zerosequence voltage amplitude to quickly and smoothly track a target value by controlling the nonlinear decrease in current and reducing the regulation *** results showed that the proposed method can effectively achieve fast arc suppression and reduce the fault impact current in single-phase grounding *** to other methods,the proposed method can generate a lower residual grounding current and maintain good arc-suppression performance under different transition resistances and fault locations.

关键词： Photovoltaic inverter Flexible arc suppression Adaptive control Fuzzy neural network Sliding mode control Exit strategy