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Electronic engineering of Co-Ru diatomic sites and Ru nanoparticles for synergistic promotion of hydrogen evolution

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Nano Research 2024年第5期17卷 3714-3723页

作者： Wei Zhang Cong Li yongyong cao Jun-Yang Ji Zhao-Chen Li Zheng Niu Hongwei Gu Pierre Braunstein Jian-Ping Lang College of Chemistry Chemical Engineering and Materials ScienceSoochow UniversitySuzhou 215123China State Key Laboratory of Organometallic Chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032China College of Biological Chemical Science and EngineeringJiaxing UniversityJiaxing 314001China Universitéde Strasbourg-CNRS Institut de Chimie(UMR 7177 CNRS)4 rue Blaise Pascal-CS 9003267081 StrasbourgFrance

The coexistence of multi-component active sites like single-atom sites,diatomic sites(DAS)and nanoclusters is shown to result in superior performances in the hydrogen evolution reaction(HER).Metal diatomic sites are more complex than single-atom sites but their unique electronic structures can lead to significant enhancement of the HER *** the synthesis and identification of DAS is usually challenging,we report a simple access to a diatomic catalyst by anchoring Co-Ru DAS on nitrogen-doped carbon supports along with Ru nanoparticles(NPs).Experimental and theoretical results revealed the atomic-level characteristics of Co-Ru sites,their strong electronic coupling and their synergy with Ru NPs within the *** unique electronic structure of the catalyst resulted in an excellent HER activity and stability in alkaline *** work provides a valuable insight into a widely applicable design of diatomic catalysts with multi-component active sites for highly efficient HER electrocatalysis.

关键词： Co-Ru diatomic sites Ru nanoparticles multiple active sites synergistic effect hydrogen evolution reaction

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装配式护岸在上海市某内河航道工程中的应用

城市道桥与防洪 2024年第7期 151-154,181,M0014,M0015页

作者：曹永勇上海城投公路投资(集团)有限公司上海市200336 上海城投航道建设有限公司上海市200441

针对装配式护岸在软土地基条件下的内河航道建设中应用较少的问题,进行装配式桩基护岸研究,并结合具体工程案例,提出装配式低桩L形护岸、装配式高桩承台护岸、装配式高桩墩台护岸3种型式,从布置选型、结构分段、构件连接、吊运安装等方... 详细信息

针对装配式护岸在软土地基条件下的内河航道建设中应用较少的问题,进行装配式桩基护岸研究,并结合具体工程案例,提出装配式低桩L形护岸、装配式高桩承台护岸、装配式高桩墩台护岸3种型式,从布置选型、结构分段、构件连接、吊运安装等方面进行系统论述,为装配式护岸在软土地基条件下的内河航道建设中的应用提供思路。

关键词：装配式低桩承台护岸高桩承台护岸高桩墩台护岸

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泵闸水利工程数字孪生安全模型研究与应用

城市道桥与防洪 2024年第8期 105-110页

作者：曹永勇袁程屈永倩熊冰上海城投公路投资(集团)有限公司上海市200336 上海城投航道建设有限公司上海市200441 同济大学上海市200092 大连理工大学辽宁大连116081

为提升国家水安全保障能力,致力于智慧水利建设与数字孪生流域建设,围绕“预报、预演、预警、预案”的“四预”系统,对复杂周边环境大型河口泵闸工程堤坝、基坑和外围堰工程进行科学计算与安全分析。依托智能化模拟、数据库建设以及数... 详细信息

为提升国家水安全保障能力,致力于智慧水利建设与数字孪生流域建设,围绕“预报、预演、预警、预案”的“四预”系统,对复杂周边环境大型河口泵闸工程堤坝、基坑和外围堰工程进行科学计算与安全分析。依托智能化模拟、数据库建设以及数字化、智能化、网络化,构建具有“四预”功能的智慧水利系统,实现对风险的早期发现与管理。研究成果包括86组堤坝与基坑工程及43组外围堰工程的子数据库,构成智慧水利的核心,赋能精准地预报、快速地预警、前瞻地预演和细化地预案。“四预”体系以天、空、地一体化多元水利感知网为基础,实时与安全模型的科学计算相结合,制定灾害态势的时空阈值,为预警提供先机,为启动预演提供指引,为预案制定提供数据支撑,实现预报的先时筹备、预警的实时战备、预演的全时防备三位一体化预案体系,为水安全管理提供了强有力的技术支持。

关键词：泵闸水利工程数字孪生安全模型

Building highly active hybrid double-atom sites in C_(2)N for enhanced electrocatalytic hydrogen peroxide synthesis

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Green Energy & Environment 2021年第6期6卷 846-857页

作者： yongyong cao JinYan Zhao Xing Zhong Guilin Zhuang Shengwei Deng Zhongzhe Wei Zihao Yao Jianguo Wang College of Biological Chemical Science and Engineering Jiaxing UniversityJiaxing314001China Institute of Industrial Catalysis College of Chemical EngineeringState Key Laboratory Breeding Base of Green–Chemical Synthesis TechnologyZhejiang University of TechnologyHangzhou310032China

Two-electron(2 e^(-))oxygen reduction reaction(ORR)shows great promise for on-site electrochemical synthesis of hydrogen peroxide(H_(2)O_(2)).However,it is still a great challenge to design efficient electrocatalysts for H_(2)O_(2)*** address this issue,the logical design of the active site by controlling the geometric and electronic structures is urgently ***,using density functional theory(DFT)computations,two kinds of hybrid double-atom supported on C_(2)N nanosheet(RuCu@C_(2)N and PdCu@C_(2)N)are screened out and their H_(2)O_(2)performances are ***@C_(2)N exhibits higher activity for H_(2)O_(2)synthesis with a lower overpotential of 0.12 V than RuCu@C_(2)N(0.59 V),Ru_(3)Cu(110)facet(0.60 V),and PdCu(110)facet(0.54 V).In aqueous phase,the adsorbed O_(2)is further stabilized with bulk H_(2)0 and the thermodynamic rate-determining step of 2 e^(-) ORR *** activation barrier on PdCu@C_(2)N is 0.43 eV lower than the one on RuCu@C_(2)N with 0.68 ***@C_(2)N is near the top of 2 e^(-) ORR volcano plot,and exhibits high selectivity of H_(2)O_(2.)This work provides guidelines for designing highly effective hybrid double-atom electrocatalysts(HDACs)for H_(2)O_(2)synthesis.

关键词： Hydrogen peroxide(H_(2)O_(2)) Oxygen reduction reaction(ORR) Hybrid double-atoms catalysts(HDACs) Density functional theory(DFT) Aqueous phase

成人胶质母细胞瘤预后因素分析:单中心176例临床回顾

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陆军军医大学学报 2024年第17期46卷 2002-2008页

作者：黄国浩曹勇勇杨林张作鑫向琰裴玉春李瑶陈伟吕胜青陆军军医大学(第三军医大学)第二附属医院神经外科重庆400037

目的探讨成人胶质母细胞瘤(glioblastomas,GBM)临床特点、治疗及预后情况。方法收集2015-2021年于我科诊治的176例小脑幕上GBM患者临床资料进行回顾性队列研究。采用χ2检验分析异柠檬酸脱氢酶(isocitrate dehydrogenase,IDH)野生型和... 详细信息

目的探讨成人胶质母细胞瘤(glioblastomas,GBM)临床特点、治疗及预后情况。方法收集2015-2021年于我科诊治的176例小脑幕上GBM患者临床资料进行回顾性队列研究。采用χ2检验分析异柠檬酸脱氢酶(isocitrate dehydrogenase,IDH)野生型和突变型GBM临床特征,Kaplan-Meier和Log-rank方法绘制生存曲线及检验评估,多因素Cox危险度回归分析预后影响因素。结果本组患者IDH野生型GBM占比89.2%,其在发病年龄、入院KPS评分、神经功能受损症状、O 6-甲基鸟嘌呤DNA甲基转移酶(O 6-methylguanine-DNA-methyltransferase,MGMT)启动子甲基化方面与IDH突变型GBM间的差异均具有统计学意义(P<0.05)。对于行常规治疗的IDH野生型GBM患者,单因素Cox危险度分析显示,肿瘤大部全切除、MGMT启动子甲基化、放疗启动时间≥5周且<6周、替莫唑胺(temozolomide,TMZ)辅助化疗≥6个周期是影响患者总体生存时间(overall survival,OS)的保护性因素;肿瘤位于左侧大脑半球、累及单个脑叶、MGMT启动子甲基化、放疗启动时间≥5周且<6周是影响患者无肿瘤进展生存时间(progression free survival,PFS)的保护性因素(P均<0.05)。进一步多因素Cox危险度回归分析显示,MGMT启动子甲基化、放疗启动时间≥5周且<6周、术后TMZ辅助化疗≥6个周期是影响患者OS的独立保护性因素;肿瘤位于左侧大脑半球、累及单个脑叶、MGMT启动子甲基化则是影响患者PFS的独立保护性因素(P均<0.05)。结论IDH突变型GBM与野生型GBM患者临床和预后特征迥异,后续须进一步完善相关分子检测明确其病理类型;MGMT启动子甲基化是IDH野生型GBM患者相对良好预后重要指标;术后略微延迟启动放疗(术后≥5周及<6周)可显著改善IDH野生型GBM患者生存预后。

关键词：胶质母细胞瘤异柠檬酸脱氢酶基因突变替莫唑胺放化疗生存预后

A theoretical study of electrocatalytic ammonia synthesis on single metal atom/MXene

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Chinese Journal of Catalysis 2019年第2期40卷 152-159页

作者： Yijing Gao Han Zhuo yongyong cao Xiang Sun Guilin Zhuang Shengwei Deng Xing Zhong Zhongzhe Wei Jianguo Wang Institute of Industrial Catalysis College of Chemical EngineeringState Key Laboratory Breeding Base of Green-Chemical Synthesis TechnologyZhejiang University of TechnologyHangzhou 310032ZhejiangChina

Electrocatalytic ammonia synthesis under mild conditions is an attractive and challenging process in the earth’s nitrogen cycle,which requires efficient and stable catalysts to reduce the *** N2 activation and reduction overpotential of different Ti3C2O2-supported transition metal(TM)(Sc,Ti,V,Cr,Mn,Fe,Co,Ni,Cu,Zn,Mo,Ru,Rh,Pd,Ag,Cd,and Au)single-atom catalysts have been analyzed in terms of the Gibbs free energies calculated using the density functional theory(DFT).The end-on N2 adsorption was more energetically favorable,and the negative free energies represented good N2 activation performance,especially in the presence Fe/Ti3C2O2(﹣0.75 eV).The overpotentials of Fe/Ti3C2O2,Co/Ti3C2O2,Ru/Ti3C2O2,and Rh/Ti3C2O2 were 0.92,0.89,1.16,and 0.84 eV,*** potential required for ammonia synthesis was different for different TMs and ranged from 0.68 to 2.33 *** possible potential-limiting steps may be involved in the process:(i)hydrogenation of N2 to*NNH and(ii)hydrogenation of*NH2 to *** catalysts can change the reaction pathway and avoid the traditional N–N bond-breaking *** also simplifies the understanding of the relationship between the Gibbs free energy and overpotential,which is a significant factor in the rational designing and large-scale screening of catalysts for the electrocatalytic ammonia synthesis.

关键词： Electrocatalytic ammonia synthesis Single atom catalyst MXene Transition metal Density functional theory Overpotential Gibbs free energy

关于ELT-400在GB/T 37130—2018标准使用中的参数校正补偿

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汽车电器 2024年第3期 30-34页

作者：吴圣安沈文卿苏添发曹勇勇许铁成刘美生吉利汽车研究院(宁波)有限公司浙江宁波315315

文章主要研究ELT-400在GB/T 37130—2018标准使用中的参数校正补偿。首先分析Nadar ELT-400频域值计算原理,然后对校正补偿系统的搭建和测量数据的比对进行分析,由于示波器模块FFT之间的数值存在偏差,又对其影响偏差的干扰因素进行分析... 详细信息

文章主要研究ELT-400在GB/T 37130—2018标准使用中的参数校正补偿。首先分析Nadar ELT-400频域值计算原理,然后对校正补偿系统的搭建和测量数据的比对进行分析,由于示波器模块FFT之间的数值存在偏差,又对其影响偏差的干扰因素进行分析,并利用计量数值的参数校正补偿的测量方法及数学补偿的方式降低计量干扰的可能性,期望对ELT-400在GB/T 37130—2018标准中的实际使用起到一定的参考价值。

关键词： GB/T 37130—2018 ELT-400 快速傅立叶变换不确定度赫尔姆霍兹线圈

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因前风挡贴膜导致车辆导航定位不准的故障分析

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汽车电器 2024年第9期 81-82,85页

作者：李景伟葛丽敏王龙程志刚车长发曹勇勇吉利汽车研究院(宁波)有限公司浙江宁波315336

因外部原因、车辆前风挡膜、安装非原装级行车记录设备等易引起车辆导航定位迟滞、偏移,影响用户用车体验。本文根据车辆定位原理,通过对车机多媒体的搜星能力和与卫星交互数据的能力以及信号的稳定性、可靠性进行排查分析,解决信号较... 详细信息

因外部原因、车辆前风挡膜、安装非原装级行车记录设备等易引起车辆导航定位迟滞、偏移,影响用户用车体验。本文根据车辆定位原理,通过对车机多媒体的搜星能力和与卫星交互数据的能力以及信号的稳定性、可靠性进行排查分析,解决信号较差的问题。

关键词：导航定位前风挡贴膜信号干扰

Trace water triggers high-efficiency photocatalytic hydrogen peroxide production

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Journal of Energy Chemistry 2022年第1期31卷 47-54,I0003页

作者： Zaixiang Xu Yang Li yongyong cao Renfeng Du Zhikang Bao Shijie Zhang Fangjun Shao Wenkai Ji jun Yang Guilin Zhuang Shengwei Deng Zhongzhe Wei Zihao Yao Xing Zhong Jianguo Wang Institute of Industrial Catalysis College of Chemical EngineeringState Key Laboratory Breeding Base of Green-Chemical Synthesis TechnologyZhejiang University of TechnologyHangzhou 310032ZhejiangChina Department of Chemistry Zhejiang UniversityHangzhou 310027ZhejiangChina

Photocatalytic production of hydrogen peroxide(H_(2)O_(2))has attracted much attentions as a promising method for sustainable solar ***,we demonstrate that trace water can drastically boost highefficiency photocatalytic production of H_(2)O_(2) with a record-high concentration of 113 mmol L^(-1) using alkali-assisted C_(3)N_(4) as photocatalyst in water/alcohol mixture *** electron paramagnetic resonance(EPR)measurement,the radical species generated during the photocatalytic process of H_(2)O_(2) are *** propose alcohol is used to provide and stabilize-OOH radicals through hydrogen bond,while trace water could trigger photocatalytic production of H_(2)O_(2) via providing and transferring indispensable free protons to completely consume OOH radicals,which breaks the reaction balance of-OOH radical generation from ***-OOH radicals could be supplied by alcohol continuously to serve as a reservoir for high-efficiency production of H_(2)O_(2).These results pave the way towards photocatalytic method on semiconductor catalysts as an outstanding approach for production of hydrogen peroxide.

关键词： Hydrogen peroxide Photocatalysis Carbon nitride Water Radicals