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Theoretical Study on Surface enhanced Raman scattering of Pyridine adsorbed on the Au@Pd Core/Shell Nanoparticle

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Theoretical Study on Surface enhanced Raman scattering of Py...

Efficient photocatalytic biomass-alcohol conversion with simultaneous hydrogen evolution over ultrathin 2D NiS/Ni-CdS photocatalyst

第十五届全国光散射学术会议

作者： Zhilin Yang,~(a,b) Yan Li,~b Zhipeng Li,~a Deyin Wu,~c Hongxing Xu,~(a,d)Mengtao sun,~(a,*) (a.Beijing National laboratory for Condensed Matter Physics,Institute of Physics,Chinese Academy of Sciences,Beijing b.department of Physics,xiamen university,Xiarnen:c.state key laboratory of physical chemistry of solid surfaces and department of chemistry,college of chemistry and chemical engineering,xiamen university,xiamen d.Division of solid state Physics,Lund university,Lund 22100,Sweden)

＜正＞Surface enhanced Raman scattering（SERS） of pyridine adsorbed on Au@Pd core/shell nanoparticles has been investigated theoretically with quantum chemical method,generalized Mie theory and three-dimensional finite-difference time domain（3D-FDTD） *** first studied the influence of the coated Pd on the electronic structure of Au nanopartiele,and compared the electronie structure ofAu20 eluster with that of Aul0Pdl0（core/shell） ***,we studied SERS spectroscopy of pyridine on Au@Pd core/shell nanoparticles,which revealed the rate of static chemical enhancement and electromagnetic enhancement in the experimental ***,the influence of the Pd shell thickness to

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Chinese chemical Letters 2024年第7期35卷 422-427页

作者： Zongyi Huang Cheng Guo Quanxing zheng Hongliang Lu Pengfei Ma zhengzhong Fang Pengfei sun Xiaodong Yi Zhou Chen state key laboratory of physical chemistry of solid surfaces College of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China college of Materials Key Laboratory of High Performance Ceramic Fibers(Xiamen University)Ministry of EducationXiamen UniversityXiamen 361005China Technology Center China Tobacco Fujian Industrial Co.Ltd.Xiamen 361021 China

The photocatalytic conversion of biomass into high-value chemicals,coupled with simultaneous hydrogen(H_(2))evolution,leveraging the electrons and holes generated by solar energy,holds great promise for addressing energy *** this study,we constructed a dual functional photocatalytic system formed by NiS loaded on Ni doped two-dimensional(2D)CdS nanosheet(NiS/Ni-CdSNS)heterostructure for visible-light-driven H_(2)evolution and ethanol oxidation to ***,the 2D NiS/NiCdSNS exhibited significant activity and selectivity in both photocatalytic H_(2)evolution and ethanol oxidation,achieving yields of 7.98 mmol g^(-1)h^(-1)for H_(2)and 7.33 mmol g^(-1)h^(-1)for *** heterogeneous interface of the composite facilitated efficient charge separation,while NiS provided abundant sites for proton reduction,thereby promoting the overall dual-functional photocatalytic *** functional theory calculations further reveal that both Ni doping and NiS loading can reduce the reaction energy barrier of ethanol oxidation of free radicals,and NiS/Ni-CdSNS composite materials exhibit stronger ethanol C-H activation ability to generate key intermediate·CH(OH)CH_(3)on the *** work serves as a valuable guide for the rational design of efficient dual functional photocatalytic systems that combine H_(2)evolution with the selective conversion of organic compounds into high-value chemicals.

关键词： Photocatalysis Biomass-alcohol oxidation H_(2)evolution Dual-functional catalysis

MOF-derived Cu embedded into N-doped mesoporous carbon as a robust support of PdAu nanocatalysts for ethanol electrooxidation

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Rare Metals 2024年第3期43卷 1083-1094页

作者： Yu-Fu Huang Peng Wu Jun-Ping Tang Jian Yang Jing Li Shuai Chen Xue-Ling zhao ChengChen Bin-Wei Zhang Yan-Yun Ma Wei-Heng Shi Dong-Hai Lin Shi-Gang sun School of Energy and Materials Shanghai Engineering Research Center of Advanced Thermal Functional MaterialsShanghai Key Laboratory of Engineering Materials Application and EvaluationShanghai Polytechnic UniversityShanghai201209China state key laboratory of physical chemistry of solid surfaces Department of ChemistryCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamen361005China School of chemistry and chemical engineering Chongqing UniversityChongqing401331China Center of Advanced Energy Technology and Electrochemistry Institute of Advanced Interdisciplinary StudiesChongqing UniversityChongqing400044China Institute of Functional Nano&Soft Materials(FUNSOM) Jiangsu Key Laboratory for Carbon-Based Functional Materials&DevicesSoochow UniversitySuzhou215123China department of Materials Science and engineering Drexel UniversityPhiladelphiaPA19104USA

Metal-organic frameworks(MOFs)h ave attracted widespread attention due to their large surface area and porous *** designing the nanostructures of MOFs to promote their application in ethanol electrooxidation is still a ***,a novel Cu-NCNs(Cu-nitrogen-doped carbon nanotubes)support was synthesized by pyrolysis of melamine(MEL)and Cu-ZIF-8 together,and then,Pd-Au nanoalloys were loaded by sodium borohydride reduction method to prepare PdAu@Cu-NCNs *** generating mesoporous carbon with high specific surface area and favorable electron and mass transport can be used as a potential excellent carrier for PdAu *** addition,the balance of catalyst composition and surface structure was tuned by controlling the content of Pd and ***,the best-performed Pd_(2)Au_(2)@Cu-NCN-1000-2(where 1000 means the carrier calcination temperature,and 2 means the calcination constant temperature time)catalyst exhibits better long-term stability and electrochemical activity for ethanol oxidation in alkaline media(4.80 A·mg^(-1)),which is 5.05 times higher than that of commercial Pd/C(0.95 A·mg^(-1)).Therefore,this work is beneficial to further promoting the application of MOFs in direct ethanol fuel cells(DEFCs)and can be used as inspiration for the design of more efficient catalyst support structures.

关键词： Metal-organic frameworks(MOFs) N-doped Mesoporous carbon PdAu Ethanol electrooxidation

Boost the Utilization of Dense FeN_(4) Sites for High-Performance Proton Exchange Membrane Fuel Cells

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Energy & Environmental Materials 2024年第3期7卷 398-405页

作者： Yanrong Li Shuhu Yin Long Chen Xiaoyang Cheng Chongtai Wang Yanxia Jiang Shigang sun state key laboratory of physical chemistry of solid surfaces Engineering Research Center of Electrochemical Technologies of Ministry of EducationCollege of Chemistry and Chemical Engineering and Discipline of Intelligent Instrument and EquipmentXiamen UniversityXiamen 361005China college of chemistry and chemical engineering Key Laboratory of Electrochemical Energy Storage and Energy Conversion of Hainan ProvinceHainan Normal UniversityHaikou 571158China

Iron-nitrogen-carbon(Fe-N-C)catalysts for the oxygen reduction reaction(ORR)in proton exchange membrane fuel cells(PEMFCs)have seriously been hindered by their poor ORR performance of Fe-N-C due to the low active site density(SD)and site ***,we reported a melamine-assisted vapor deposition approach to overcome these *** melamine not only compensates for the loss of nitrogen caused by high-temperature pyrolysis but also effectively etches the carbon substrate,increasing the external surface area and mesoporous porosity of the carbon *** can provide more useful area for subsequent vapor deposition on active *** prepared 0.20Mela-FeNC catalyst shows a fourfold higher SD value and site utilization than the FeNC without the treatment of *** a result,0.20Mela-FeNC catalyst exhibits a high ORR activity with a half-wave potential(E_(1/2))of 0.861 V and 12-fold higher ORR mass activity than the FeNC in acidic *** the cathode in a H_(2)-O_(2)PEMFCs,0.20Mela-FeNC catalyst demonstrates a high peak power density of 1.30 W cm^(-2),outstripping most of the reported Fe-N-C *** developed melamine-assisted vapor deposition approach for boosting the SD and utilization of Fe-N-C catalysts offers a new insight into high-performance ORR electrocatalysts.

关键词： fuel cells melamine oxygen reduction reaction site density utilization

Implications of Nitrogen Doping on Geometrical and Electronic Structure of the Fullerene Dimers

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Chinese Journal of chemistry 2021年第1期39卷 93-98页

作者： Yin Su Zuo-Chang Chen Han-Rui Tian Yun-Yan Xu Qianyan Zhang Su-Yuan xie lan-sun zheng state key Lab for physical chemistry of solid surfaces iChEM(Collaborative Innovation Center of Chemistry for Energy Materials)Department of ChemistryCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamenFujian 361005China

Because of its unsaturated bonds,C_(60) is susceptible to polymerize into *** implications of nitrogen doping on the geometrical and electronic structure of C_(60) dimers have been ambiguous for years.A quarter-centur... 详细信息

关键词： Fullerenes Dimers Structure elucidation Density functional calculations Crystallographic structure

Cross-linkable fullerene interfacial contacts for enhancing humidity stability of inverted perovskite solar cells

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Rare Metals 2021年第7期40卷 1691-1697页

作者： Ming-Wei An Zhou Xing Bao-Shan Wu Fang-Fang xie Shan-Yu zheng Lin-Long Deng Xu Wang Bin-Wen Chen Da-Qin Yun Su-Yuan xie Rong-Bin Huang lan-sun zheng state key laboratory for physical chemistry of solid surfaces iChEM(Collaborative Innovation Center of Chemistry for Energy Materials)Department of ChemistryCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China Pen-Tung Sah Institute of Micro-Nano Science and Technology Xiamen UniversityXiamen 361005China college of Energy Xiamen UniversityXiamen 361005China

In situ cross-linking encapsulation has been demonstrated to be an efficient strategy for enhancing the humidity stability of perovskite solar cells(PSCs).In this study,a novel cross-linkable fullerene derivative,namely1-(p-benzoate-(p-methylvinylbenzene)-indolino[2,3][60]fullerene(FPPS),was readily synthesized from commercially available building blocks in two *** FPPS was employed as an interfacial modifier on perovskite surfaces in inverted planar p-i-n *** to the fast interfacial charge extraction and efficient trap passivation,PSCs based on the cross-linked FPPS(C-FPPS)exhibited excellent *** PSCs had a top-performing power conversion efficiency(PCE)of 17.82%with negligible hysteresis,compared to the control devices without C-PFFS(16.99%).Moreover,the strong water resistance of the C-FPPS interfacial layer distinctly enhances the ambient stability of PSC devices,exhibiting a t80(the time required to reach 80%of the initial PCE)of 300 h under high-humidity *** significantly surpasses the control devices,whose t80 was only 130 *** results demonstrate that cross-linkable fullerene derivatives can be promising interfacial materials for designing high-efficiency,hysteresis-free,air-stable PSCs.

关键词： Perovskite solar cells Cross-linkable fullerene Fullerene interlayer Power conversion efficiency Humidity stability

Stereomeric effects of bisPC_(71)BM on polymer solar cell performance

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Science Bulletin 2016年第2期61卷 132-138页

作者： Lin-Long Deng Xiang Li Shuai Wang Wen-Peng Wu Si-Min Dai Cheng-Bo Tian Yi zhao Su-Yuan xie Rong-Bin Huang lan-sun zheng Pen-Tung Sah Institute of Micro-Nano Science and Technology Xiamen University state key Lab for physical chemistry of solid surfaces Collaborative Innovation Center of Chemistry for Energy Materials (iChEM) Department of Chemistry College of Chemistry and Chemical Engineering Xiamen University Institute of Environmental and Analytical Sciences College of Chemistry and Chemical Engineering Henan University

Two stereomers of bisadduct analogues of [6, 6]-phenyl-C71-butyric acid methyl ester （bisPC71BM） were synthesized and their geometrical structures with cis- or trans-configuration were identified by X-ray crystallogra- phy. Although both of the bisPC71BM have similar spec- trometric and electrochemical properties, the spatial orientation of the two addition groups on C7o has impact on crystal packing and molecular assembly of bisPC71BM isomers and, in turn, photovoltaic performance in polymer solar cell based on poly（3-hexylthiophene）（P3HT）（with power conversion efficiency of 1.72 % and 1.84 % for the solar cells involving cis- and trans-bisPC71BM, respec- tively）. Although the power conversion efficiency remains to be improved, this work exemplifies that the photovoltaic properties of fullerene-based electron acceptors areinfluenced by aggregation of the stereomeric molecules and thus extends the guidelines for rational design of efficient fullerene acceptor.

关键词： Polymer solar cells Fullerenederivative Electron acceptor Stereomeric effectsX-ray crystallography

Healing the structural defects of spinel MnFe_(2)O_(4) to enhance the electrocatalytic activity for oxygen reduction reaction

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Journal of Energy chemistry 2024年第10期97卷 12-19,I0001页

作者： Manting Tang Yue Zou Zhiyong Jiang Peiyu Ma Zhiyou Zhou Xiaodi Zhu Jun Bao Shi-Gang sun National Synchrotron Radiation laboratory University of Science and Technology of ChinaHefei 230026AnhuiChina state key laboratory of physical chemistry of solid surfaces Department of ChemistryCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamen 36005 FujianChina iChEM(Collaborative Innovation Center of chemistry for Energy Materials) University of Science and Technology of ChinaHefei 230026AnhuiChina

Spinel metal oxides containing Mn,Co,or Fe(AB_(2)O_(4),A/B=Mn/Fe/Co)are one of the most promising nonPt electrocatalysts for oxygen reduction reaction(ORR)in alkaline ***,the low conductivity of metal oxides and the poor intrinsic activities of transition metal sites lead to unsatisfactory ORR *** this study,eutectic molten salt(EMS)treatment is employed to reconstruct the atomic arrangement of MnFe_(2)O_(4)electrocatalyst as a prototype for enhancing ORR *** analyses by using XAFS,soft XAS,XPS,and electrochemical methods reveal that the EMS treatment reduces the oxygen vacancies and spinel inverse in MnFe_(2)O_(4)effectively,which improves the electric conductivity and increases the population of more catalytically active Mn^(2+)sites with tetrahedral ***,the enhanced Mn-O interaction after EMS treatment is conducive to the adsorption and activation of O_(2),which promotes the first electron transfer step(generally considered as the ratedetermining step)of the ORR *** a result,the EMS treated MnFe_(2)O_(4)catalyst delivers a positive shift of 40 mV in the ORR half-wave potential and a two-fold enhanced mass/specific *** work provides a convenient approach to manipulate the atomic architecture and local electronic structure of spinel oxides as ORR electrocatalysts and a comprehensive understanding of the structureperformance relationship from the molecular/atomic scale.

关键词： Spinel MnFe_(2)O_(4) Oxygen reduction reaction Spinel inverse Oxygen vacancies Eutectic molten salt

Sniffing with mass spectrometry

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Science Bulletin 2018年第20期63卷 1351-1357页

作者： Miao-Miao Chen Hai-Feng Su Ying xie Li-Fang He Shui-Chao Lin Mei-Lin Zhang Cheng Wang Su-Yuan xie Rong-Bin Huang lan-sun zheng state key laboratory for physical chemistry of solid surfaces Collaborative Innovation Center of Chemistry for Energy Materials Department of Chemistry College of Chemistry and Chemical Engineering Xiamen University School of Information Science and engineering Xiamen University

Gaseous compounds are usually on-line detectable on sensors. The limitations of conventional sensors are suffering from incapability for exactly identifying multiple components as well as incompatibility to possible toxicants in every odor sample. Herein, we discuss an inlet modification to the laboratory standard mass spectrometer, inspired by the sensitive olfactory systems of animals, for direct sniffing,established by connecting a mini pump to the nebulizer gas tubing. The modified mass spectrometry method—sniffing-mass spectrometry(sniffing-MS)—can acquire detailed fingerprint spectra of mixed odors and shows high tolerance to toxicants. Furthermore, the method has a low limit of detection in the order of parts per trillion and is a ‘sampling-free' technique for analyzing various gaseous compounds simultaneously, thus offering versatility for smelling daily commodities, tracking diffusion, and locating position of odors. Sniffing-MS can mimic or even surpass the olfaction of animals and is applicable for analyzing gaseous/volatile compounds, especially those polar compounds, in a simple manner depending on the intrinsic molecular mass-to-charge ratio.

关键词： Ambient mass spectrometry Volatile compounds Gas source locating On-line monitoring Olfaction