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Rough-surfaced bimetallic copper–palladium alloy multicubes as highly bifunctional electrocatalysts for formic acid oxidation and oxygen reduction

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Green Energy & Environment 2019年第3期4卷 254-263页

作者： Dong Chen Linlin Xu Hui Liu Jun Yang State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China Center for Mesoscience Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences No.19A Yuquan RoadBeijing 100049China Zhongke Langfang Institute of Process Engineering Fenghua Road No 1Langfang Economic&Technical Development ZoneHebei 065001China

Engineering the morphology of nanomaterials and modifying their electronic structure are effective ways to improve their performance in electrocatalysis. Through combining the co-reduction of Pd2+ and Cu2+ precursors with a digestive ripening process in oleylamine, we report the synthesis of copper-palladium(Cu-Pd) alloy multicubes with rough surfaces. Benefiting from their alloy and unique rough-surfaced structure,which provides ample edge/corner and step atoms as well as the electronic coupling between Cu and Pd leading to the lower of d-band center, the rough-surfaced Cu-Pd alloy multicubes show much better electrocatalytic performance not only for formic acid oxidation but also for oxygen reduction in comparison with those of spherical Cu-Pd alloy nanoparticles and commercial Pd/C catalyst. In contrast, we confirm that the rough-surfaced Cu-Pd alloy multicubes only exhibit very low Faradaic efficiency(34.3%) for electrocatalytic conversion of carbon dioxide(CO2) to carbon monoxide(CO) due to the presence of strong competing hydrogen evolution reaction, which results in their very poor selectivity for the reduction of CO2 to CO. The findings in this study not only offer a promising strategy to produce highly effective electrocatalysts for direct formic acid fuel cells, but also enlighten the ideas to design efficient electrocatalysts for CO2 reduction.

关键词： Copper–palladium Multicube Formic acid oxidation Oxygen reduction CO2 reduction

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Ionic liquid-trimetallic electrocatalytic system for C–O bond cleavage in lignin model compounds and lignin under ambient conditions

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Nano Research 2024年第4期17卷 2420-2428页

作者： Guangyong Liu Yumiao Lu JunFeng Lu Yanlei Wang Shijing Liang Hongyan He Lilong Jiang National Engineering Research Center of Chemical Fertilizer Catalyst Fuzhou UniversityFuzhou 350002China CAS Key Laboratory of Green Process and Engineering State Key Laboratory of Multiphase Complex SystemsBeijing Key Laboratory of Ionic Liquids Clean ProcessInstitute of Process EngineeringChinese Academy of SciencesBeijing 100190China Longzihu New Energy Laboratory Zhengzhou Institute of Emerging Industrial TechnologyZhengzhou 450000China

Electrocatalytic depolymerization of lignin into value-added chemicals offers a promising technique to make biorefining ***,we report a robust trimetallic PdNiBi electrocatalyst for reductive C–O bond cleavage of different lignin model dimers and oxidized lignin under mild *** reduction reaction proceeds with complete substrate conversion and excellent yields toward monomers of phenols(80%–99%)and acetophenones(75%–96%)in the presence of an ionic liquid electrolyte with operational *** experimental investigations together with density functional theory(DFT)calculations reveal that the outstanding performance of the catalyst results from the synergistic effect of the metal elements,which facilitates the easier formation of a key Cαradical intermediate and the facile desorption of the as-formed products at the *** results open up new opportunities for lignin valorization through the green electrocatalytic approach.

关键词： electrocatalytic depolymerization lignin Ionic liquids density functional theory(DFT)calculation

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Mechanism of dichloromethane disproportionation over mesoporous TiO2 under low temperature

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Frontiers of Environmental Science & Engineering 2019年第2期13卷 73-84页

作者： Yuzhou Deng Shengpan Peng Haidi Liu Shuangde Li Yunfa Chen State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China Center for Excellence in Regional Atmospheric Environment Institute of Urban EnvironmentChinese Academy of SciencesXiamen 361021China

Mesoporous TiO2 was synthesized via nonhydrolytic template-mediated sol-gel *** degradation performance upon dichloromethane over as-prepared mesoporous TiO2,pure anatase and rutile were investigated *** took place over as-made mesoporous TiO2 and pure anatase under the presence of *** mechanism of disproportionation was studied by in situ *** interaction between chloromethoxy species and bridge coordinated methylenes was the key step of *** species and methoxy groups would be formed and further turned into carbon monoxide and methyl ***(001)played an important role for disproportionation in that water could be dissociated into surface hydroxyl groups on such *** a result,the consumed hydroxyl groups would be *** addition,there was another competitive oxidation route governed by free hydroxyl *** this route,chloromethoxy groups would be oxidized into formate species by hydroxyl radicals transfering from the surface of *** latter route would be more favorable at higher temperature.

关键词： Dichloromethane Disproportionation Mechanism Anatase(001) Water dissociation

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Universality class of machine learning for critical phenomena

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Science China(Physics,Mechanics & Astronomy) 2023年第12期66卷 63-70页

作者： Gaoke Hu Yu Sun Teng Liu Yongwen Zhang Maoxin Liu Jingfang Fan Wei Chen Xiaosong Chen School of Systems Science and Institute of Nonequilibrium Systems Beijing Normal UniversityBeijing 100875China Data Science Research Center Faculty of ScienceKunming University of Science and TechnologyKunming 650500China State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China

Herein,percolation phase transitions on a two-dimensional lattice were studied using machine learning *** reveal that different phase transitions belonging to the same universality class can be identified using the same neural networks(NNs),whereas phase transitions of different universality classes require different *** on this finding,we proposed the universality class of machine learning for critical ***,we investigated and discussed the NNs of different universality *** research contributes to machine learning by relating the NNs with the universality class.

关键词： universality class machine learning percolation

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Superior triethylamine-sensing properties based on SnO2 hollow nanospheres synthesized via one-step process

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Progress in Natural Science:Materials International 2024年第4期34卷 682-689页

作者： Mingyue Xu Shu Yan Zia Ur Rehman Jianhua Hou Liangyun Zhai Shengjie Zhu Chuanbao Cao Wanfeng Xie Junyu Zhong Jun Yang State Key Laboratory of Bio-fibers and Eco-textiles School of Electronics and Information College of Materials Science and Engineering College of Chemistry and Chemical Engineering Qingdao University College of Environmental Science and Engineering Yangzhou University State Key Laboratory of Chemical Safety SINOPEC Research Institute of Safety Engineering Co. Ltd. National Registration Center for Chemicals Ministry of Emergency Management Research Center of Materials Science Beijing Institute of Technology State Key Laboratory of Multiphase Complex Systems Institute of Process Engineering Chinese Academy of Sciences

Due to serious harm of triethylamine（TEA） to environmental safety and human health, it is significant to synthesize gas-sensitive materials with high performance for TEA detection. However, it is still a challenge to achieve high-sensitivity detection of TEA at low temperature for a sensor synthesized through an economical and efficient method. In this work, hollow-structured SnO2（HS-SnO2） nanospheres have been fabricated by a facile, low-cost hydrothermal method in one step, which exhibit superior TEA-sensing properties, including not only ultrahigh response（127.75） for 100 ppm TEA, good selectivity, but also fast response and recovery time（17/28 s）, low detection threshold（1 ppm） and robust stability at a relatively low optimum operational temperature of 225°*** excellent gas-sensitizing performances are ascribed to porous hollow structures with rich oxygen vacancies that provide abundant active sites for raising O2adsorption and reaction of TEA and oxygen species. This work offers an effective and economical strategy for fabricating high-performance TEA sensors for industrial applications.

关键词： Hollow-structured SnO2 nanospheres TEA High response Gas sensors

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Spherical Particles Growth with Dynamic Oscillation during Lithium Electrodeposition

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Energy Material Advances 2023年第1期4卷 112-119页

作者： Hanxu Jing Hui Xing Bohan Li Yongsheng Han MOE Key Laboratory of Material Physics and Chemistry under Extraordinary Northwestern Polytechnical University710129 Xi’anChina Shaanxi Basic Discipline(Liquid Physics)Research Center Northwestern Polytechnical University710129 Xi’anChina State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of Sciences100190 BeijingChina

In this paper,the spherical particles growth during lithium electrodeposition was investigated by directly solving the governing equations based on the Landau transformation *** basic growth kinetic characteristics of a spherical particle during electrodeposition was *** results show that the dynamic oscillation of the growth velocity occurs during the spherical particle *** was found from numerical simulations that applied electrical potential difference,electrolyte concentration,and diffusion coefficient are 3 main factors influencing the spherical growth and the existence of the dynamic oscillation state of the growth velocity during *** increase in both the applied electrical potential difference and the electrolyte concentration can lead to the increase of the growth velocity of the spherical particle,while the growth velocity is independent of the diffusion ***,it was found that the wavelength and the amplitude of the dynamic oscillation of the growth velocity can be influenced by the applied electrical potential difference,the electrolyte concentration,and the diffusion *** determined that the dynamic competition between electrochemical reactions and ion transport in the electrodeposition is the reason for the existence of the oscillation of the growth velocity.

关键词： coefficient. method. oscillation

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Current collectors’ effects on the electrochemical performance of LiNi_(0.6)Co_(0.2)Mn_(0.2)O_(2) suspension electrodes for lithium slurry battery

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Green Energy & Environment 2024年第8期9卷 1306-1313页

作者： Linshan Peng Yufei Ren Zhaoqiang Yin Zhitong Wang Xiangkun Wu Lan Zhang CAS Key Laboratory of Green Process and Engineering Beijing Key Laboratory of Ionic Liquids Clean ProcessState Key Laboratory of Multiphase Complex SystemsInstitute of Process EngineeringChinese Academy of SciencesBeijing100190China School of Chemical Engineering University of Chinese Academy of SciencesBeijing100049China Hefei University Hefei230601China Institute of Mechanics Chinese Academy of SciencesBeijing100190China Langfang Green Industrial Technology Center Hebei065001China

Take after the advantages of lithium-ion battery (LIB) and redox flow battery (RFB), semi-solid flow battery (SSFB) is a promising electrochemical energy storage device in renewable energy utilization. The flowable slurry electrode realizes decouple of energy and power density, while it also brings about new challenge to SSFBs, electron transport between active material and the out circuit. In this consideration, three types of current collectors (CCs) are applied to study the resistance and electrochemical performances of slurry cathodes within pouch cells for the first time. It proves that the electronic resistance (Re) between slurry electrode and the CC plays a decisive role in SSFB operation, and it is so large when Al foil is adopted that the cell cannot even work. Contact angle between Ketjen black (KB) slurry without active material (AM) and the CC is a preliminarily sign for the Re, the smaller the angle, the lower the resistance, and the better electrochemical performance of the cell.

关键词： Semi-solid flow battery Slurry electrode Current collector Electronic resistance Carbon coated Al

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Manipulating Dendritic Structures via Diffusion and Reaction

Manipulating Dendritic Structures via Diffusion and Reaction

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The 6th International Conference on Nanoscience & Technology, China 2015

作者： Tao Yang Yongsheng Han Jinghai Li Center of Mesoscience State Key Laboratory of Multiphase Complex SystemInstitute of Process EngineeringChinese Academy of Science

A dendrite is one of the most aesthetically pleasing structures, with the best-known example being snowflakes. Dendritic structures also include dendrites in alloys, neural systems and structures in nanomaterials. Although the formation of dendrites has been studied for centuries, the practical technique to control their growth is limited. Here we report an attempt to manipulate the growth of dendritic structures via controlling chemical diffusion and reaction. We take the synthesis of silver particles as an example. The silver dendritic structures are synthesized by reducing silver ions in solution. The diffusion of chemical agents is regulated by changing the viscosity of the solution while the reaction is regulated by adding acids. With the decrease of diffusion rate, the dendrites become short forming small compact particles. With the decrease of reaction rate, the side branches of dendrites disappears forming rod like particles. The silver dendritic structures can be finely tuned by diffusion and reaction, which is ascribed to the influence of diffusion and reaction on the microscopic chemical distribution around the growth fronts. The results in this study showed that the control on diffusion and reaction are two effective tools to tune the structure of dendrites, which not only indicates a green approach for controllable synthesis of dendritic structures, but also points out a new direction to consider the suppression of dendrites in industries. These results are being drafted for publication. Previous studies on diffusion and reaction in shaping materials can be referred in the following papers [1, 2].

关键词： Shape control,Dendritic structure,Silver,Diffusion,Reaction

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Icephobic performance on the aluminum foil-based micro-/nanostructured surface

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Chinese Physics B 2017年第4期26卷 351-355页

作者：陈宇刘桂成姜磊金志永叶锋李重基王磊王波 College of Materials Science and Engineering Beijing University of Technology Center for Energy Convergence Research Green City Research InstituteKorea Institute of Science and Technology (KIST) Industrial Centre The Hong Kong Polytechnic University State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of Sciences Key Laboratory of Cryogenics Technical Institute of Physics and ChemistryChinese Academy of Sciences

The research of superhydrophobic materials has attracted many researchers＇ attention due to its application value and *** order to expand the serviceable range,people have investigated various superhydrophobic *** simple and easy preparation method has become the focus for superhydrophobic *** this paper,we present a program for preparing a rough surface on an aluminum foil,which possesses excellent hydrophobic properties after the treatment with low surface energy materials at high *** resulting contact angle is larger than 160° and the droplet cannot freeze on the surface above-10 ℃.Meanwhile,the modified aluminum foil with the thickness of less than 100 μm can be used as an ideal flexible applied material for superhydrophobicity/anti-icing.

关键词： aluminum foil micro-nanostructure superhdrophobicity anti-icing flexibility

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Molecular dynamics simulations of surfactant adsorption at oil/water interface under shear flow

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Particuology 2019年第3期17卷 36-43页

作者： Ying Ren Qiang Zhang Ning Yang Ji Xu Jialin Liu Ruixin Yang Christian Kunkelmann Eduard Schreiner Christian Holtze Kerstin Miilheims Bernd Sachweh State Key Laboratory of Multiphase Complex Systems Institute of Process Engineering Chinese Academy of Sciences P.O. Box 353 Beijing 100190 China Center for Mesoscience (COM) Institute of Process Engineering Chinese Academy of Sciences P.O. Box 353 Beijing 100190 China China University of Petroleum-Beijing Beijing 102249 China University of Shanghai for Science and Technology Shanghai 200093 China BASFSE 67056 Ludwigshafen am Rhein Germany BASF Advanced Chemicals Co. Ltd. Shanghai 200137 China

Surfactants are extensively used in many chemical products to improve their stability, appearance, texture, and rheology. Precise control of the emulsion droplet size distribution, which depends on the characteristics of the surfactant used, is important for target-oriented product design. A complete understand! ng of the structures and dynamics of emulsion droplets at the reactor level requires coupling of two mesoscale physical constraints, that at the interfacial level, i.e., smaller than a single droplet (Mesoscale- 1), and that at the device level, i.e., larger than a single droplet (Mesoscale-2). In this work, the structures and adsorption kinetics of Mesoscale-1 surfactant molecules were studied via coarse-grained molecular dynamics. A non-equilibrium model that could introduce stable shear flow into the simulation box was used to investigate the interfacial structures at the droplet interface under different shear rates. The configurations of the surfactant molecules and adsorption amounts were compared with those obtained without flow. The adsorption kinetics for different shear rates were compared to determine the effects of hydrodynamic interactions. The dominant mechanisms governing the dynamic structures can thus be summarized as maximization of the adsorption density at the interface and minimization of flow resistance in the bulk phase (water and/or oil molecules). A scheme for coupling between Mesoscale-1 and Mesoscale-2 is proposed. This method is promising for the incorporation of interfacial structure effects into the hydrodynamics at the reactor device level for the manipulation of chemical products.

关键词： Surfactant adsorption Molecular dynamics simulation Mesoscale modeling Shear flow

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