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Controlled Growth of Pt–Au Alloy Nanowires and Their Performance for Formic Acid Electrooxidation

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Journal of materials Science & Technology 2016年第7期32卷 639-645页

作者： Yu Han Yuejun Ouyang Zhihui Xie Jinri Chen Fangfang Chang Gang Yu State Key laboratory of Chemo/Biosensing and Chemometrics College of Chemistry and Chemical Engineering Hunan University Changsha 410082 China College of chemistry and materials Engineering Huaihua University Huaihua 418000 China Chemical Synthesis and Pollution Control Key laboratory of Sichuan Province College of Chemistry and Chemical Engineering China West Normal University Nanchong 637002 China

Pt-Au alloy nanowires have been controllably electrodeposited on microelectrodes by applying an al- ternating current and were used as the electrocatalyst for formic acid oxidation. The frequency and voltage of the alternating current and the electrolyte composition were adjusted to precisely control the mor- phologies, alloying structures and composition. The characteristics of Pt-Au alloy nanowires were analyzed by scanning electron microscopy, X-ray diffraction and transmission electron spectroscopy. Electrocatalytic performance of formic acid oxidation at Pt-Au alloy nanowires electrode was investigated by cyclic voltammetry and chronoamperometry. The results showed that the Pt-Au alloy nanowires possessed highly- crystalline morphologies, the controllable bimetallic composition and single-phase alloy structures, which mainly grow in the 〈111〉 crystal orientation. The electrocatalytic activity of formic acid oxidation strongly depended on the bimetallic Pt/Au composition. The PtjsAu6s alloy nanowires displayed superior electrocatalytic performance and high stability toward the electrooxidation of formic acid in acidic so- lution, owing to the ensemble effect of the Pt and Au components. These findings provided insights into the design of the Pt-Au bimetallic nanomaterials as electrocatalvsts for formic acid oxidation.

关键词： Pt-Au alloyNanowiresPhase structureFormic aciclElectrooxidation

Speciation characterization and coagulation of poly-silica-ferric-chloride:The role of hydrolyzed Fe(Ⅲ) and silica interaction

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Journal of environmental Sciences 2011年第5期23卷 749-756页

作者： Jian Shi Yan Zhang Kaiyun Zou Feng Xiao Nantong University Nantong 226007 China. E-mail: shijianchuyu @ *** Key laboratory of environmental Water chemistry Ecological Environment Research Center of Chinese Academy of Science Beijing 100085 China

The highly efficient inorganic polymer flocculants （IPFs） of the ferric-silica system is a new and promising coagulant. Interactions between ferric species and silica play a large part in the coagulation of suspensions. These effects are quite distinct from those associated with polymeric or colloid silica. However, although these species are key to coagulation efficiency, they have not been comprehensively discussed. A new type of coagulant, poly-silica-ferric-chloride （PFSC）, was synthesized by co-polymerization and characterized by time complexation spectroscopy and photon correlation spectroscopy. Compared with traditional ferric salt, the results indicated that PFSC had a higher molecular weight, lesser positive charge, lower Feb and higher Fec. The higher the Si/Fe ratio, the higher the silica and lower the silicac found. The PFSC with appropriate polysilica acid not only obtained better coagulation/flocculation efficiency in turbidity removal, enhanced the flocculation index （FI） and provided less residual ferric, it also lowered water treatment costs compared to traditional ferric salt. Results showed that PFSC could remove colloid particles in water by charge neutralization and sweeping, adsorption bridging mechanism.

关键词： coagulation inorganic polymer flocculant PFSC species distribution residual ferric

Tetra-phthalimide end-fused bifluorenylidene: Synthesis and characterization

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Chinese Chemical Letters 2019年第1期30卷 259-262页

作者： Debin Xia Fangyuan Zhang Zhigang Liu Linghao Meng Ruiqing Fan Yulin Yang MIIT Key laboratory of Critical materials Technology for New Energy Conversion and Storage School of Chemistry and Chemical Engineering Harbin Institute of Technology

A novel electron acceptor, namely, tetra-phthalimide end-fused bifluorenylidene(3 D-imide) was designed and synthesized. In comparison to its framework analogue 12,12'-bidibenzo[b,h]fluorenylidene(BF-3), the electron withdrawing capability and optical absorption were strengthened and enlarged,respectively. Moreover, photoluminescence quenching experiments were carried out, which confirmed 3D-imide could be a good candidate for nonfullene organic photovoltaics. Finally, we gained more insight into its electronic properties through density functional theory calculation.

关键词： Bifluorenylidene Polycycles Electron acceptor Twisting Three dimensional

Adsorption of polyhaloalkane vapors by adaptive macrocycle crystals of Wreath Arene through C-halogen…π interactions

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Chinese Chemical Letters 2022年第4期33卷 1970-1974页

作者： Shu Niu Liang-Liang Mao Hongyan Xiao Yongye Zhao Chen-Ho Tung Li-Zhu Wu Huan Cong Key laboratory of Photochemical Conversion and Optoelectronic materials Key Laboratory of Bio-inspired Materials and Interfacial ScienceTechnical Institute of Physics and ChemistryChinese Academy of SciencesSchool of Future TechnologyUniversity of Chinese Academy of SciencesBeijing 100190China

Polyhaloalkanes are broadly useful yet environmentally harmful stock chemicals,therefore the development of adsorbent materials with capacity and selectivity for polyhaloalkane vapors is highly *** we report a novel macrocycle WreathArene,a fluorinated C;-symmetrical [1;]-*** the crysalline state,WreathArene features guest-adaptive polymorphism for polyhaloalkanes including chloroform,tribromomethane,1,1,2-trichloroethane,and 1,***-covalent C-halogen…πinteractions are observed in all of these host-guest *** on these properties,the activated WreathArene crystals can be utilized as a selective and recyclable adsorbent for polyhaloalkane vapors with excellent capacity under user-friendly conditions.

关键词： Macrocycle Paracyclophane Halogen…π Polyhaloalkane Adsorption

Construction of a Novel 2D Polymer [Co（dmpzm）（dca）2]∞ from Reaction of a Mononuclear Complex [Co（dmpzm）Cl2] with Sodium Dicyanamide （dca） [dmpzm=bis（3,5-dimethylpyrazolyl）methane]

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Chinese Journal of chemistry 2006年第12期24卷 1716-1720页

作者：李巧云张文华李红喜唐晓燕郎建平张勇王新益高松 Key laboratory of Organic Synthesis of Jiangsu Province School of Chemistry and Chemical Engineering Suzhou University Suzhou Jiangsu 215123 China State Key laboratory of Rare Earth materials chemistry and Applications Peking University Belting 100870 China

Reaction of COC12.6H20 with equimolar bis（3,5-dimethylpyrazolyl）methane （dmpzm） produced a mononuclear adduct [Co（dmpzm）Cl2] （1）. Treatment of 1 with sodium dicyanamide （dca） afforded a polymeric complex [Co（dmpzm）（μ-dca）2]∞ （2）. 1 and 2 were characterized by elemental analysis, IR spectra, thermogravimetric analysis and single-crystal X-ray diffraction. The cobalt atom in 1 adopts a distorted tetrahedral coordination geometry, bound to two N atoms of one dmpzm and two Cl atoms. Complex 2 has a 2D brick-wall network （extended along the bc plane） in which the { [Co（dmpzm）（μ-dca）]2} n^2n＋ chains are interconnected by pairs of μ-dca anions along the c axis. The magnetic properties of 1 and 2 were also investigated.

关键词： cobalt coordination polymer synthesis crystal structure magnetic property

Host-Guest Interactions between N,N＇-Bis（ferrocenylmethyl- ene）-Diaminobutane and Benzenetetracarboxylic Dianhydride Bridged Bis（β-cyclodextrin）s

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Chinese Journal of chemistry 2006年第12期24卷 1687-1691页

作者：陈希刘静严军林房喻 Key laboratory for Macromolecular Science of Shaanxi Province School of Chemistry and Materials Science Shaanxi Normal University Xi'an Shaanxi 710062 China

A novel water soluble ditopic guest, the quaternary ammonium salt of N,N＇-bis（ferrocenylmethylene）-diaminobutane （1）, and a known water soluble ditopic host, benzenetetracarboxylic dianhydride bridged bis（β-cyclodextrin）s （2）, have been synthesized and characterized. ^1H NMR spectra and cyclic voltammogram （CV） studies revealed the host-guest interactions between them in aqueous solution. The supramolecular interaction also exists in solid state as confirmed by the studies of the solid samples, which were obtained by frozen-drying the solution sampies, using FTIR spectroscopy and differential scanning calorimetry （DSC） techniques. TEM measurement demonstrated that wire-shaped supramolecular aggregates exist in the aqueous solution of the two compounds. The lengths of the aggregates could reach micrometers.

关键词： ferrocene β-cyclodextrin host-guest interaction supramolecular

Machine Learning for chemistry:Basics and Applications

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Engineering 2023年第8期27卷 70-83页

作者： Yun-Fei Shi Zheng-Xin Yang Sicong Ma Pei-Lin Kang Cheng Shang P.Hu Zhi-Pan Liu Collaborative Innovation Center of chemistry for Energy Material Shanghai Key Laboratory of Molecular Catalysis and Innovative MaterialsKey Laboratory of Computational Physical Sciences of the Ministry of EducationDepartment of ChemistryFudan UniversityShanghai 200433China Key laboratory of Synthetic and Self-Assembly chemistry for Organic Functional Molecules Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032China School of chemistry and Chemical Engineering Queen’s University BelfastBelfast BT95AGUK

The past decade has seen a sharp increase in machine learning(ML)applications in scientific *** review introduces the basic constituents of ML,including databases,features,and algorithms,and highlights a few important achievements in chemistry that have been aided by ML *** described databases include some of the most popular chemical databases for molecules and materials obtained from either experiments or computational *** two-dimensional(2D)and three-dimensional(3D)features representing the chemical environment of molecules and solids are briefly *** tree and deep learning neural network algorithms are overviewed to emphasize their frameworks and typical application *** important fields of ML in chemistry are discussed:(1)retrosynthesis,in which ML predicts the likely routes of organic synthesis;(2)atomic simulations,which utilize the ML potential to accelerate potential energy surface sampling;and(3)heterogeneous catalysis,in which ML assists in various aspects of catalytic design,ranging from synthetic condition optimization to reaction mechanism ***,a prospect on future ML applications is provided.

关键词： Machine learning Atomic simulation Catalysis Retrosynthesis Neural network potential

Insights on catalytic mechanism of CeO2 as multiple nanozymes

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Nano Research 2022年第12期15卷 10328-10342页

作者： Yuanyuan Ma Zhimin Tian Wenfang Zhai Yongquan Qu Key laboratory of Special Functional and Smart Polymer materials of Ministry of Industry and Information Technology School of Chemistry and Chemical EngineeringNorthwestern Polytechnical UniversityXi’an710072China

CeO2 with the reversible Ce3+/Ce4+redox pair exhibits multiple enzyme-like catalytic performance,which has been recognized as a promising nanozyme with potentials for disease diagnosis and *** surface physicochemical properties of various CeO2 catalysts with controllable sizes,morphologies,and surface states enable a rich surface chemistry for their interactions with various molecules and species,thus delivering a wide variety of catalytic behaviors under different *** the significant progress made in developing CeO2-based nanozymes and their explorations for practical applications,their catalytic activity and specificity are still uncompetitive to their counterparts of natural enzymes under physiological *** the attempt to provide the insights on the rational design of highly performed CeO2 nanozymes,this review focuses on the recent explorations on the catalytic mechanisms of CeO2 with multiple enzyme-like *** the detailed discussion and proposed perspectives,we hope this review can raise more interest and stimulate more efforts on this multi-disciplinary field.

关键词： heterogeneous catalysis ceria nanozyme oxygen vacancy

Integration of cobalt selenide nanocrystals with interlayer expanded 3D Se/N Co-doped carbon networks for superior sodium-ion storage

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Journal of Energy chemistry 2021年第4期30卷 169-175页

作者： Huabin Kong Chade Lv Yishan Wu Chunshuang Yan Gang Chen MIIT Key laboratory of Critical materials Technology for New Energy Conversion and Storage School of Chemistry and Chemical EngineeringHarbin Institute of TechnologyHarbin 150001HeilongjiangChina

Rational electrode structure design is of great significance for realizing superior Na^(+)storage ***,a metal salt-induced polymer blowing-bubble approach followed by selenization procedure is developed to in-situ generate abundant sub-10 nm CoSe_(2) nanocrystals on 3D Se/N co-doped carbon networks(CoSe_(2)@3DSNC).The phase transition from Co to CoSe_(2) and the incorporation of Se into the carbon layer are realized simultaneously to establish above configuration,in which the CoSe_(2) nanocrystals are anchored on interlayer expanded carbon *** unique configuration endows electrode with lower Na+diffusion energy barrier,higher Na+storage capability and better structural *** in SIBs,the optimized CoSe_(2)@3 DSNC delivers superior rate capability(310 m Ah g^(-1) at 10 A g^(-1))and excellent longterm cycling stability(409 m Ah g^(-1) after 1200 cycles at 5 A g^(-1)).Moreover,this configuration can also be obtained in other metal selenides-carbon composite through a similar approach.

关键词： Sodium-ion battery Anode CoSe2 nanocrystals Se-doping Interlayer engineering