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Potential-dependent insights into the origin of high ammonia yield rate on copper surface via nitrate reduction:A computational and experimental study

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Journal of Energy Chemistry 2024年第9期96卷 272-281页

作者： Yangge Guo Nannan Sun Liuxuan Luo Xiaojing Cheng Xueying Chen Xiaohui Yan Shuiyun Shen Junliang Zhang Institute of Fuel Cells School of Mechanical EngineeringMOE Key Laboratory of Power&Machinery EngineeringShanghai Jiao Tong UniversityShanghai 200240China Department of Chemical and Biological Engineering The Hong Kong University of Science and TechnologyClear Water BayKowloon 999077Hong KongChina Paris Elite Institute of Technology Shanghai Jiao Tong UniversityShanghai 200240China

Focusing on revealing the origin of high ammonia yield rate on Cu via nitrate reduction(NO3RR),we herein applied constant potential method via grand-canonical density functional theory(GC-DFT)with implicit continuum solvation model to predict the reaction energetics of NO3RR on pure copper surface in alkaline *** potential-dependent mechanism on the most prevailing Cu(111)and the minor(100)and(110)facets were established,in consideration of NO_(2)_(−),NO,NH_(3),NH_(2)OH,N_(2),and N_(2)O as the main *** computational results show that the major Cu(111)is the ideal surface to produce ammonia with the highest onset potential at 0.06 V(until−0.37 V)and the highest optimal potential at−0.31 V for ammonia production without kinetic obstacles in activation energies at critical *** other minor facets,the secondary Cu(100)shows activity to ammonia from−0.03 to−0.54 V with the ideal potential at−0.50 V,which requires larger overpotential to overcome kinetic activation energy *** least Cu(110)possesses the longest potential range for ammonia yield from−0.27 to−1.12 V due to the higher adsorption coverage of nitrate,but also with higher tendency to generate di-nitrogen *** evaluations on commercial Cu/C electrocatalyst validated the accuracy of our proposed *** most influential(111)surface with highest percentage in electrocatalyst determined the trend of ammonia *** specific,the onset potential of ammonia production at 0.1 V and emergence of yield rate peak at−0.3 V in experiments precisely located in the predicted potentials on Cu(111).Four critical factors for the high ammonia yield and selectivity on Cu surface via NO3RR are summarized,including high NO3RR activity towards ammonia on the dominant Cu(111)facet,more possibilities to produce ammonia along different pathways on each facet,excellent ability for HER inhibition and suitable surface size to suppress di-nitrogen species formation at high nitrate cove

关键词： Nitrate reduction to ammonia Copper surface Density functional theory Constant electrode potential method Experimental validation

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Effect of carbon material and surfactant on ink property and resulting surface cracks of fuel-cell microporous layers

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Chinese Journal of Chemical Engineering 2024年第5期69卷 1-12页

作者： Zhekun Chen Weitong Pan Longfei Tang Xueli Chen Fuchen Wang Engineering Research Center of Resource Utilization of Carbon-containing Waste with Carbon Neutrality Ministry of EducationEast China University of Science and TechnologyShanghai 200237China Key Laboratory of Pressure Systems and Safety Ministry of EducationEast China University of Science and TechnologyShanghai 200237China

Ensuring the consistency of electrode structure in proton-exchange-membrane fuel cells is highly desired yet challenging because of wide-existing and unguided cracks in the microporous layer(MPL). The first thing is to evaluate the homogeneity of MPL with cracks quantitatively. This paper proposes the homogeneity index of a full-scale MPL with an area of 50 cm~2, which is yet to be reported in the literature to our knowledge. Besides, the effects of the carbon material and surfactant on the ink and resulting MPL structure have been studied. The ink with a high network development degree produces an MPL with low crack density, but the ink with high PDI produces an MPL with low crack homogeneity. The polarity of the surfactant and the non-polarity of polytetrafluoroethylene(PTFE) are not mutually soluble,resulting in the heterogeneous PTFE distribution. The findings of this study provide guidelines for MPL fabrication.

关键词： Proton-exchange-membrane fuel cell Microporous layer Crack density Crack homogeneity Polytetrafluoroethylene distribution Surfactant

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All laser direct writing process for temperature sensor based on graphene and silver

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Frontiers of Optoelectronics 2024年第1期17卷 45-55页

作者： Qi Li Ruijie Bai Lianbo Guo Yang Gao shanghai Key Laboratory of Intelligent Sensing and Detection Technology School of Mechanical and Power EngineeringEast China University of Science and TechnologyShanghai 200237China North Automatic Control Technology Institute Taiyuan 030006China Wuhan National Laboratory for Optoelectronics Huazhong University of Science&TechnologyWuhan 430074China

A highly sensitive temperature sensing array is prepared by all laser direct writing(LDW)method,using laser induced silver(LIS)as electrodes and laser induced graphene(LIG)as temperature sensing layer.A finite element analysis(FEA)photothermal model incorporating a phase transition mechanism is developed to investigate the relationship between laser parameters and LIG properties,providing guidance for laser processing parameters selection with laser power of 1–5 W and laser scanning speed(greater than 50 mm/s).The deviation of simulation and experimental data for widths and thickness of LIG are less than 5%and 9%,*** electrical properties and temperature responsiveness of LIG are also *** changing the laser process parameters,the thickness of the LIG ablation grooves can be in the range of 30–120μm and the resistivity of LIG can be regulated within the range of 0.031–67.2Ω・*** percentage temperature coefficient of resistance(TCR)is calculated as−0.58%/°***,the FEA photothermal model is studied through experiments and simulations data regarding LIS,and the average deviation between experiment and simulation is less than 5%.The LIS sensing samples have a thickness of about 14μm,an electrical resistivity of 0.0001–100Ω・m is insensitive to temperature and pressure ***,for a LIS-LIG based temperature sensing array,a correction factor is introduced to compensate for the LIG temperature sensing being disturbed by pressure stimuli,the temperature measurement difference is decreased from 11.2 to 2.6°C,indicating good accuracy for temperature measurement.

关键词： Laser direct writing Temperature sensor Finite element analysis Laser induced graphene Laser induced silver

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Novel heterozygous USH1C mutation impacts hair cell mechanotransduction and causes progressive hearing loss

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Science Bulletin 2024年第2期69卷 167-172页

作者： Yanyan Jia Gaogan Jia Luo Guo Nan Song Yu-Meng Wang Luoying Jiang Yilai Shu Yan Chen Shujia Zhu Huawei Li Wenyan Li ENT Institute and Otorhinolaryngology Department of Eye&ENT Hospital State Key Laboratory of Medical Neurobiology and MOE Frontiers Center for Brain ScienceFudan UniversityShanghai 200031China Institutes of Biomedical Sciences Fudan UniversityShanghai 200032China NHC Key Laboratory of Hearing Medicine(Fudan University) Shanghai 200031China The Institutes of Brain Science and the Collaborative Innovation Center for Brain Science Fudan UniversityShanghai 200032China shanghai Center for Brain Science and Brain-Inspired Intelligence Technology Shanghai 201210China Institute of Neuroscience State Key Laboratory of NeuroscienceCAS Center for Excellence in Brain Science and Intelligence TechnologyChinese Academy of SciencesShanghai 200031China Department of Cardiology and Institute for Developmental and Regenerative Cardiovascular MedicineXinhua Hospital Affiliated to Shanghai Jiaotong University School of MedicineShanghai 200092China

Hearing loss is one of the most common sensory disorders worldwide,affecting approximately 466 million people,including 34 million children[1].Genetic mutations accounts for approximately 60%of inherited hearing loss cases[2,3].These genetic changes result in a wide variety of clinical manifestations,ranging from nonsyndromic hearing loss(NSHL)to over 400 syndromes involving hearing loss and from mild adult-onset hearing loss to profound congenital deafness,covering the entire spectrum of Mendelian inheritance.

关键词： mec hearing approximate

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Ti和Cu掺杂β-NaMnO正极材料：钠离子电池的倍率和循环性能（英文）

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无机材料学报 2024年

作者：周靖渝李兴宇赵晓琳王有伟宋二红刘建军中国科学院杭州高等研究院化学与材料科学学院中国科学院上海硅酸盐研究所高性能陶瓷和超精密微结构国家重点实验室中国科学院大学材料科学与光电工程中心

钠离子电池是一种经济且环境可持续的储能电池。其中，β-NaMnO2作为很有前途的钠离子正极材料，是一种具有波纹形层状结构的锰基氧化物，因其结构坚固和相对较高的比容量而备受关注。然而，它的循环寿命短、倍率性能不佳。为了解决这... 详细信息

钠离子电池是一种经济且环境可持续的储能电池。其中，β-NaMnO2作为很有前途的钠离子正极材料，是一种具有波纹形层状结构的锰基氧化物，因其结构坚固和相对较高的比容量而备受关注。然而，它的循环寿命短、倍率性能不佳。为了解决这些问题，通过第一性原理计算和晶体轨道哈密顿布局（COHP）分析，在β-NaMnO2中掺入了可以提高材料结构稳定性的Ti原子和有利于钠离子脱出的Cu原子。β-NaMn0.8Ti0.1Cu0.1O2显示出显著的可逆比容量增长和卓越的倍率性能。在0.2C电流密度(1C=219 mA·g–1)，1.8–4.0 V的电压范围内，改性材料的初始放电容量为132 mAh·g–1。在0.2C、0.5C、1C、3C和0.2C的电流密度下进行充放电测试后，该材料仍能保持110 mAh·g–1的比容量。掺入Ti减缓了晶体结构的变化，晶格常数c/a在脱钠过程中仅有微小变化。Mn和Cu分别在3.0 V以下和3.5 V左右发生可逆氧化还原反应，在放电曲线中3.0 V以下的长平台表明Mn是电池容量的主要贡献者。本研究深入研究了改性β-NaMnO2正极材料的工作机理，为提高钠离子电池的性能提供了实验证据和理论指导。

关键词：第一性原理钠离子电池层状正极材料

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USH1C新杂合突变影响耳蜗毛细胞机械电转导功能并导致渐进性听力损伤（英文）

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Science Bulletin 2024年第2期 167-172页

作者：贾岩岩贾高干郭荦宋楠王雨萌蒋罗颖舒易来陈岩竺淑佳李华伟李文妍 ENT Institute and Otorhinolaryngology Department of Eye & ENT Hospital State Key Laboratory of Medical Neurobiology and MOE Frontiers Center for Brain Science Fudan University Institutes of Biomedical Sciences Fudan University NHC Key Laboratory of Hearing Medicine (Fudan University) The Institutes of Brain Science and the Collaborative Innovation Center for Brain Science Fudan University shanghai Center for Brain Science and Brain-Inspired Intelligence Technology Institute of Neuroscience State Key Laboratory of Neuroscience CAS Center for Excellence in Brain Science and Intelligence Technology Chinese Academy of Sciences Department of Cardiology and Institute for Developmental and Regenerative Cardiovascular Medicine Xinhua Hospital Affiliated to Shanghai Jiaotong University School of Medicine

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Grain-refining and strengthening mechanisms of bulk ultrafine grained CP-Ti processed by L-ECAP and MDF

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Journal of Materials Science & Technology 2021年第24期83卷 196-207页

作者： Peng-Cheng Zhao Guang-Jian Yuan Run-Zi Wang Bo Guan Yun-Fei Jia Xian-Cheng Zhang Shan-Tung Tu Key Laboratory of Pressure Systems and Safety Ministry of EducationSchool of Mechanical and Power EngineeringEast China University of Science and TechnologyShanghai200237China National Engineering Research Center for Magnesium Alloys Chongqing UniversityChongqing400044China

The microstructural evolution and mechanical properties of ultrafine-grained(UFG)CP-Ti after an innovative large-volume equal channel angular pressing(L-ECAP)and multi-directional forging(MDF)were systematically examined using monotonic tensile tests combined with transmission electron microscope(TEM)and electron backscatter diffraction(EBSD)*** refined and homogeneous microstructures were achieved after L-ECAP(8-pass and 12-pass)and MDF(2-cycle and 3-cycle),respectively,where the grain size distribution conformed to lognormal *** grain refinement of450℃L-ECAP is dominated by dynamic recrystallization(DRX)and dynamic recovery(DRV),while that of MDF is dominated by *** iron impurities promote recrystallization by pinning-induced dislocation accumulation so that DRX is prone to occur at iron segregation regions during *** monotonic tensile results show that the strain hardening rate of CP-Ti increases with the decrease of grain size,while the continuous strain hardening ability *** relationship between the average grain size and yield strength is in accordance with Hall-Petch ***,the individual strengthening mechanisms were quantitatively examined by the modified *** results indicate that the strengthening contribution of dislocation accumulation to yield strength is greater than that of grain refinement.

关键词： Equal channel angular pressing Multi-directional forging Ultrafine grain Recrystallization Strain hardening Hall-Petch relation

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Precipitation and heterogeneous strengthened CoCrNi-based medium entropy alloy with excellent strength-ductility combination from room to cryogenic temperatures

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Science China(Technological Sciences) 2022年第8期65卷 1780-1797页

作者： XIE Yu ZHAO PengCheng TONG YongGang TAN JianPing SUN BinHan CUI Yan WANG RunZi ZHANG XianCheng TU ShanTung Key Laboratory of Pressure Systems and Safety Ministry of EducationSchool of Mechanical and Power EngineeringEast China University of Science and TechnologyShanghai 200237China College of Automobile and Mechanical Engineering Changsha University of Science and TechnologyChangsha 410114China Key Laboratory for Advanced Materials and Feringa Nobel Prize Scientist Joint Research Center Institute of Fine ChemicalsSchool of Chemistry&Molecular EngineeringEast China University of Science and TechnologyShanghai 200237China

The improved understandings of the mechanical properties as well as deformation mechanisms at cryogenic temperatures are the prerequisite for realizing the application of any new engineering materials to cryogenic ***,a(CoCrNi)_(94)Al_(3)Ti_(3) medium entropy alloy(MEA)with nanoscale L12 coherent precipitates and heterogeneous grain structures was prepared by codoping Al and Ti elements with subsequent cold rolling and heat treatment *** mechanical properties were evaluated at the temperature range of 293–113 *** ultimate strength of the MEA increases almost linearly from 1326 to 1695 MPa as the temperature decreases from 293 to 113 K,while the total elongation remains approximately constant of~35%.The underlying deformation and strengthening mechanisms were investigated using various characterization *** to the effect of co-doped Al/Ti on channel width of the matrix and the increasing critical twinning stress induced by heterogeneous ultrafine grain size,the formation of deformation twins is inhibited at all ***,only a slight increase of the deformation twins and stacking faults in the deformed specimens with a decreasing temperature,which leads to the relative temperature-independence of the *** dislocation cutting mechanism of L1_(2) coherent precipitates and the heterodeformation induced(HDI)hardening both significantly contribute to the strain hardening so that an excellent combination of strength and ductility is ***,the evolution of lattice friction stress with deformation temperature is determined by quantitative analysis,indicating an approximately linear relationship between the lattice friction and *** present work provides new insights into the strategy of achieving outstanding strength-ductility synergy of the MEA under the wide temperature range by coupling heterogeneous ultrafine-grained structure and coherent precipitation strategy.

关键词： medium entropy alloy cryogenic temperature heterogeneous structure precipitation strengthening twinning

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Anti-inflammatory effects of acupuncture in the treatment of chronic obstructive pulmonary disease

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Journal of Integrative Medicine 2023年第6期21卷 518-527页

作者： Lin-hong Jiang Pei-jun Li Ying-qi Wang Mei-ling Jiang Xiao-yu Han Yi-die Bao Xin-liao Deng Wei-bing Wu Xiao-dan Liu School of Rehabilitation Science Shanghai University of Traditional Chinese MedicineShanghai 201203China School of Exercise and Health Shanghai University of SportShanghai 200438China Engineering Research Center of Traditional Chinese Medicine Intelligent Rehabilitation Ministry of EducationShanghai 201203China Institute of Rehabilitation Medicine Shanghai Academy of Traditional Chinese MedicineShanghai 201203China

Numerous randomised controlled trials have suggested the positive effects of acupuncture on chronic obstructive pulmonary disease(COPD).However,the underlying therapeutic mechanisms of acupuncture for COPD have not been clearly summarized *** is central to the development of *** this review,we elucidate the effects and underlying mechanisms of acupuncture from an antiinflammatory perspective based on animal *** smoke combined with lipopolysaccharide is often used to establish animal models of *** can be an effective intervention to improve inflammation in COPD,and Feishu(BL13)and Zusanli(ST36)can be used as basic acupoints in COPD animal *** acupuncture types can regulate different types of inflammatory cytokines;meanwhile,different acupuncture types and acupoint options have similar effects on modulating the level of inflammatory *** particular,acupuncture exerts anti-inflammatory effects by inhibiting the release of inflammatory cells,inflammasomes and inflammatory *** main underlying mechanism through which acupuncture improves inflammation in COPD is the modulation of relevant signalling pathways:nuclear factor-κB(NF-κB)(e.g.,myeloid differentiation primary response 88/NF-κB,toll-like receptor-4/NF-κB,silent information regulator transcript-1/NF-κB),mitogen-activated protein kinase signalling pathways(extracellular signal-regulated kinase 1/2,p38 and c-Jun NH2-terminal kinase),cholinergic anti-inflammatory pathway,and dopamine D2 receptor *** current synthesis will be beneficial for further research on the effect of acupuncture on COPD inflammation.

关键词： Acupuncture Chronic obstructive pulmonary disease Anti-inflammatory effects Mechanisms Animal study

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NaY沸石分子吸附涂层对典型空间污染物的吸附机制研究

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无机材料学报 2023年第10期38卷 1237-1244页

作者：戴洁燕冯爱虎米乐于洋崔苑苑于云上海师范大学化学与材料科学学院上海200234 中国科学院上海硅酸盐研究所上海201899 上海大学材料科学与工程学院上海200444

在轨高真空环境下,航天器所用非金属材料会释放出碳氢类、硅氧烷等有机分子污染物,沉积在航天器光学系统等敏感表面,影响航天器性能和使用寿命。沸石分子吸附涂层可以实时吸附空间污染物,但对其吸附作用机制还缺乏深入研究。为深入分析... 详细信息

在轨高真空环境下,航天器所用非金属材料会释放出碳氢类、硅氧烷等有机分子污染物,沉积在航天器光学系统等敏感表面,影响航天器性能和使用寿命。沸石分子吸附涂层可以实时吸附空间污染物,但对其吸附作用机制还缺乏深入研究。为深入分析空间污染物分子在沸石内部的吸附机制,本工作采用巨正则蒙特卡洛方法模拟计算了NaY沸石对三种典型空间污染物(甲苯(C_(7)H_(8))、邻苯二甲酸二甲酯(C_(10)H_(10)O_(4))和八甲基环四硅氧烷(C_(8)H_(24)O_(4)Si_(4)))的吸附行为(吸附等温线、吸附热曲线和粒子密度分布图)。模拟和实验数据的对比分析验证了计算模型和方法的合理性。在超高真空条件下,NaY沸石对空间污染物表现出较高的吸附量,但其饱和吸附量随着分子尺寸的增加而降低(C_(7)H_(8)>C_(10)H_(10)O_(4)>C_(8)H_(24)O_(4)Si_(4)),其中八甲基环四硅氧烷分子的饱和吸附量仅为8个分子,远低于甲苯的36个分子。污染物分子在沸石内部的密度分布图显示,三种污染物均优先吸附于NaY沸石的“超笼”位点。本研究系统分析了NaY沸石对典型污染物的吸附机制,为高吸附性能的沸石分子筛吸附涂层的研发提供了理论指导。

关键词：蒙特卡洛模拟 NaY沸石吸附机理空间污染物

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