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Insights into electrochemical nitrogen reduction reaction mechanisms:Combined effect of single transition-metal and boron atom 被引量:3
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作者 Xingzhu Chen Wee-Jun Ong +2 位作者 xiujian zhao Peng Zhang Neng Li 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2021年第7期577-585,共9页
Developing single-atom catalysts(SACs) for electrochemical devices is a frontier in energy conversion.The comparison of stability,activity and selectivity between various single atoms is one of the main research focus... Developing single-atom catalysts(SACs) for electrochemical devices is a frontier in energy conversion.The comparison of stability,activity and selectivity between various single atoms is one of the main research focuses in SACs.However,the in-depth understanding of the role that the coordination atoms of single atom play in the catalytic process is lacking.Herein,we proposed a graphene-like boroncarbon-nitride(BCN) monolayer as the support of single metal atom.The electrocatalytic nitrogen reduction reaction(eNRR) performances of 3 d,4 d transition metal(TM) atoms embedded in defective BCN were systematically investigated by means of density functional theory(DFT) computations.Our study shows that the TM-to-N and B-to-N π-back bonding can contribute to the activation of N_(2).Importantly,a combined effect is revealed between single TM atom and boron atom on eNRR:TM atom enhances the nitrogen reduction process especially in facilitating the N_(2) adsorption and the NH3 desorption,while boron atom modulates the bonding strength of key intermediates by balancing the charged species.Furthermore,Nb@BN3 possesses the highest electrocata lytic activity with limiting potential of-0.49 V,and exhibits a high selectivity for nitrogen reduction reaction(NRR) to ammonia compared with hydrogen evolution reaction(HER).As such,this work can stimulate a research doorway for designing multi-active sites of the anchored single atoms and the innate atoms of substrate based on the mechanistic insights to guide future eNRR research. 展开更多
关键词 Boron-carbon–nitrogen(BCN) Single-atom catalysts Electrocatalytic nitrogen reduction reaction Density functional theory Combined effect
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Mn^(2+)离子掺杂制备的高效红光发射无铅铯钪卤化物钙钛矿晶体
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作者 曹梦妍 李仁富 +2 位作者 李智霖 赵修建 龚晓 《Science China Materials》 SCIE EI CAS CSCD 2024年第4期1340-1347,共8页
通过简便的湿化学方法,将Mn^(2+)离子掺杂到Cs_(2)ScCl_(5)·H_(2)O钙钛矿中,可以快速合成具有高光致发光量子产率的钙钛矿晶体.在红光区掺杂Mn^(2+)的钙钛矿晶体的量子产率比主体材料高出12倍以上,比CsMnCl_(3)·2H_(2)O高出... 通过简便的湿化学方法,将Mn^(2+)离子掺杂到Cs_(2)ScCl_(5)·H_(2)O钙钛矿中,可以快速合成具有高光致发光量子产率的钙钛矿晶体.在红光区掺杂Mn^(2+)的钙钛矿晶体的量子产率比主体材料高出12倍以上,比CsMnCl_(3)·2H_(2)O高出近24倍.此外,利用密度泛函理论计算研究了材料的轨道杂化性质,进一步研究了材料的光学性质.Mn^(2+)掺杂后,被Sc八面体分离的Mn八面体可以更有效地限制激子,有利于提高量子产率.与原来的带隙相反,出现了归属于Mn和宿主元素的新杂化轨道.掺杂样品的吸收和激发范围从深紫外吸收扩展到紫外和可见吸收.基于上述性质,利用掺杂Mn^(2+)的钙钛矿制备了蓝芯片激发的高效白色发光二极管,其显色指数高达91,为未来在光电子领域的应用开辟了道路. 展开更多
关键词 量子产率 杂化轨道 密度泛函理论计算 光电子领域 显色指数 八面体 白色发光二极管 湿化学方法
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Laser-induced inverted patterning of nanocrystals embedded glass for micro-light-emitting diodes 被引量:1
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作者 Yuzhou Hu Ying Ye +7 位作者 Wenchao Zhang Kai Li Yao Zhou Yudong Zhang zhao Deng Jianjun Han xiujian zhao Chao Liu 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2023年第19期138-144,共7页
High resolution and full-color light-emitting diodes require precise and efficient patterning of light-emitting structures containing quantum dots or nanocrystals.We report light-induced inverted patterning of nanocry... High resolution and full-color light-emitting diodes require precise and efficient patterning of light-emitting structures containing quantum dots or nanocrystals.We report light-induced inverted patterning of nanocrystals in glasses for micro-light-emitting diodes.Ultrafast laser pulse induces structural destruction and amorphization of nanocrystals in glasses,forming inverted luminescent patterns.High-throughput patterning of micrometer-scale,thermally stable,and highly photoluminescent structures in nanocrystals embedded glass is realized.This patterning method provides a novel way to fabricate high-performance and ultrahigh-resolution color conversion layers for micrometer-scale light-emitting diodes. 展开更多
关键词 NANOCRYSTALS Ultrafast laser Sub-micro patterning Micro-light-emitting-diodes
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探讨非金属氮掺杂石墨炔中氧还原电化学反应的活性位点(英文) 被引量:6
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作者 陈星竹 王伟俊 +2 位作者 孔周舟 赵修建 李能 《Science Bulletin》 SCIE EI CSCD 2020年第1期45-54,M0004,共11页
开发高效、低成本的电化学反应催化剂是可再生能源技术研究的热点之一.本文采用密度泛函理论(DFT)系统地研究了grap-N,sp-N(Ⅰ)和spN(Ⅱ)三种位置的氮掺杂对不含金属的石墨炔(GDY)氧还原电催化剂性能的影响.研究表明,GDY中掺杂的氮原子... 开发高效、低成本的电化学反应催化剂是可再生能源技术研究的热点之一.本文采用密度泛函理论(DFT)系统地研究了grap-N,sp-N(Ⅰ)和spN(Ⅱ)三种位置的氮掺杂对不含金属的石墨炔(GDY)氧还原电催化剂性能的影响.研究表明,GDY中掺杂的氮原子通过活化其相邻的碳原子,可以显著提高GDY的氧气(O2)吸附活性.采用自由能图描述电化学氧还原反应(ORR)的解离(dissociation)和结合(association)机制.结果表明,在大多数底物上结合机制比解离机制能提供更高的ORR起始电位.其中,sp-N(Ⅱ)掺杂GDY的理论起始电位为0.76 V,表现出最高的ORR电催化活性.本文为不含金属的N掺杂GDY的电化学ORR机理提供了原子水平的理解. 展开更多
关键词 Graphdiyne(GDY) Site-specific nitrogen doping Metal-free catalysts Oxygen reduction reaction(ORR)
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Robust superamphiphobic coatings with gradient and hierarchical architecture and excellent anti-flashover performances 被引量:2
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作者 Yi Xie Wei Xiong +10 位作者 Shefiu Kareem Chuxiong Qiu Yongfei Hu Ivan PParkin Shengwu Wang Huayun Wang Junwu Chen Lee Li Zhi Chen Huajun Sun xiujian zhao 《Nano Research》 SCIE EI CSCD 2022年第8期7565-7576,共12页
Biomimetic superhydrophobic(SH)coatings have emerged as a promising alternative to traditional room temperature vulcanizing(RTV)silicone rubber coatings for improving the flashover strength of insulators.However,organ... Biomimetic superhydrophobic(SH)coatings have emerged as a promising alternative to traditional room temperature vulcanizing(RTV)silicone rubber coatings for improving the flashover strength of insulators.However,organic contamination occurs in outdoor applications and thus a superamphiphobic(SAP)surface is more desirable but not yet reported for improving flashover performance.Herein,we developed a novel anti-flashover technique by fabricating robust SAP coating with unique gradient and micro-nanoscale hierarchical architecture.The SAP coating was fabricated by sequentially spray-depositing a resin-based primer and a silica-based topcoat on substrates(i.e.,glass slides and insulators).The primer not only functions as an adhesive offering strong adhesion to the substrate but also offers a micromastoid-like structure facilitating the subsequent formation of hierarchical micro-nanostructure.The appropriate spraying pressure leads to a diffusion of the fluorocarbon-modified silica nanoparticles into the primer to form a unique gradient structure,by analogy to inserting bullets into a wood.These features render the SAP coating excellent robustness with strong abrasive resistance,excellent ultraviolet(UV)resistance,and excellent chemical and thermal stability.Pollution flashover property of the SAP coating was explored and compared with that of SH and RTV specimens,from which a novel organic-contamination model to evaluate the flashover performance was proposed.The coated SAP glass insulator demonstrated 42.9%pollution flashover voltage improvement than RTV-coated insulator.These stated unique features reveal the convincing potential of the present SAP coatings to be applied for not only outdoor transmission line insulators for antiflashover but also other fields for self-cleaning,anti-fouling,and anti-icing. 展开更多
关键词 superamphiphobic coatings superhydrophobic coatings INSULATOR pollution flashover voltage anti-flashover
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Ag/PMMA hollow waveguide for solar energy transmission 被引量:1
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作者 He LAN Jianjun HAN +1 位作者 Hongping CHEN xiujian zhao 《Frontiers of Chemical Science and Engineering》 SCIE EI CSCD 2011年第3期303-307,共5页
This paper describes an elaborate study on obtaining Ag/PMMA(polymethyl methacrylate)leaky hollow waveguide which has a large aperture and low loss in transmitting solar energy.Through analyses and comparison,a quartz... This paper describes an elaborate study on obtaining Ag/PMMA(polymethyl methacrylate)leaky hollow waveguide which has a large aperture and low loss in transmitting solar energy.Through analyses and comparison,a quartz capillary with the inner diameter of 2 mm was chosen as hollow waveguide.We used the xenon light source,which has the similar spectrum as the sunlight to test and analyze the performance of the Ag/PMMA leakage hollow waveguide.The results are consistent with the transmitted theory of the dielectric/metal leaky type well.Meanwhile,the Ag/PMMA leaky-type hollow waveguide in this work had good qualities.Therefore,it will be a satisfactory medium for solar energy transmission. 展开更多
关键词 hollow waveguide transmit the solar energy Ag/PMMA multiplefilm parabolic collector
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