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| 1 | Experimental investigation of laser peening on TiAl alloy microstructure and properties显示文摘In order to study the effect of laser peening on microstructures and properties of Ti Al alloy, Ti Al alloy samples were treated by Nd:YAG laser system with the wavelength of 1064 nm,pulse-width of 18 ns, and pulse-energy of 0–10 J. Surface micro-hardness, roughness, and microstructural characteristics were tested with micro-hardness tester, roughness tester and scanning electron microscope. Residual stress and pole figures were tested with X-ray diffraction and its high-temperature stability was analyzed. The experimental results show that surface micro-hardness increases by up to 30%, roughness increases to 0.37 lm, compressive residual stress increases to 337 MPa, and local texture and typical lamellar microstructure are generated. Residual stress, micro-hardness, and(002) pole figures tests are conducted, compressive residual stress value drops from 337 MPa to 260 MPa, hardness value drops from 377 HV_(0.2) to 343 HV_(0.2), and the(002)poles shift back to the center slightly. Laser peening improves microstructure and properties of Ti Al alloy significantly. | Qiao Hongchao Zhao Jibin Gao Yu | 2015 | Chinese Journal of Aeronautics2015，28，2： | 21 |
| 2 | LPI radar signal detection based on radial integration of Choi-Williams time-frequency image显示文摘This paper mainly revolves the time-frequency image of low probability of intercept(LPI) radar signals and carries out research work on image features selection and extraction and recognition. Since Choi-Williams distribution(CWD) uses the exponential kernel of bilinear generalized class of time-frequency distribution, it has an excellent time-frequency aggregation. And it is suitable for detecting LPI radar signals in a low signal-to-noise ratio(SNR) condition. A radial integration method based on the integral rotating factor is proposed to detect LPI radar signals when the signals' time-frequency image is obtained. First, the digital image processing method is used to preprocess the LPI radar signals' time-frequency images after CWD transformation; then, the radial integration method based on the integral rotating factor is used to detect LPI radar signals in the binary images. The analytic results of real data show that the method has a good performance on detecting LPI radar signals in a low SNR condition. Additionally,the method is simple and takes less logic resources and has the potential of real-time detection of LPI radar signals. | Yongjian Liu Peng Xiao Hongchao Wu Weihua Xiao | 2015 | Journal of Systems Science & Complexity2015，28，5： | 18 |
| 3 | Impact of meteorological factors on the incidence of childhood hand,foot,and mouth disease(HFMD)analyzed by DLNMs-based time series approach显示文摘Background:Hand,foot,and mouth disease(HFMD)has become an emerging infectious disease in China in the last decade.There has been evidence that meteorological factors can influence the HFMD incidence,and understanding the mechanisms can help prevent and control HFMD.Methods:HFMD incidence data and meteorological data in Minhang District,Shanghai were obtained for the period between 2009 and 2015.Distributed lag non-linear models(DLNMs)were utilized to investigate the impact of meteorological factors on HFMD incidence after adjusting for potential confounders of long time trend,weekdays and holidays.Results:There was a non-linear relationship between temperature and HFMD incidence,the RR of 5th percentile compared to the median is 0.836(95%CI:0.671-1.042)and the RR of 95th percentile is 2.225(95%CI:1.774-2.792),and the effect of temperature varied across age groups.HFMD incidence increased with increasing average relative humidity(%)(RR=1.009,95%CI:1.005-1.015)and wind speed(m/s)(RR=1.197,95%CI:1.118-1.282),and with decreasing daily rainfall(mm)(RR=0.992,95%CI:0.987-0.997)and sunshine hours(h)(RR=0.966,95%CI:0.951-0.980).Conclusions:There were significant relationships between meteorological factors and childhood HFMD incidence in Minhang District,Shanghai.This information can help local health agencies develop strategies for the control and prevention of HFMD under specific climatic conditions. | Hongchao Qi Yue Chen Dongli Xu Hualin Su Longwen Zhan Zhiyin Xu Ying Huang Qianshan He Yi Hu Henry Lynn Zhijie Zhang | 2018 | Infectious Diseases of Poverty2018，7，1： | 17 |
| 4 | A review of heavy-duty legged robots显示文摘Heavy-duty legged robots have been regarded as one of the important developments in the field of legged robots because of their high payload-total mass ratio,terrain adaptability,and multitasking.The problems associated with the development and use of heavy-duty legged robots have motivated researchers to conduct many important studies,covering topics related to the mechanical structure,force distribution,control strategy,energy efficiency,etc.Overall,heavy-duty legged robots have three main characteristics:greater body masses,larger body sizes,and higher payload-total mass ratios.Thus,various heavy-duty legged robots and their performances are reviewed here.This review presents the current developments with regard to heavy-duty legged robots.Also,the main characteristics of high-performance heavy-duty legged robots are determined and conclusions are drawn.Furthermore,the current research of key techniques of heavy-duty legged robots,including the mechanical structure,force distribution,control method,and power source,is described.To assess the transportation capacity of heavy-duty legged robots,performance evaluation parameters are proposed.Finally,problems that need further research are addressed. | ZHUANG HongChao GAO HaiBo DENG ZongQuan DING Liang LIU Zhen | 2014 | Science China(Technological Sciences)2014，57，2： | 15 |
| 5 | Controlled synthesis of porous spinel cobalt manganese oxides as efficient oxygen reduction reaction electrocatalysts显示文摘在这篇文章,我们报导一个灵巧的先锋热分解方法准备多孔的尖晶石类型钴锰氧化物(公司 x Mn 3-x 有可控制的形态学和水晶的结构的 O 4) 。在反应的盖住的代理人被发现在从立方的公司 2 MnO 4 nanorods 到四角形的公司 2 Mn 4 microspheres 和四角形的公司 2 Mn 4 立方体分别地。所有准备尖晶石材料展出灿烂的氧减小反应(ORR ) 与高稳定性一起的 electrocatalysis。特别地,立方的公司 2 有 0.9 V 的一个发作潜力的最好的表演和是的 0.72 V 的一个一半波浪潜力很关上到商业 Pt/C 的 MnO 4 nanorods 表演。同时,立方的公司 2 在场的 MnO 4 nanorods 有他们在 10,000 秒的一连续操作时间以后的 electrocatalytic 活动的可以忽略的降级的优异稳定性,它比商业 Pt/C electrocatalyst 好一些。 | Hongchao Yang Feng Hu Yejun Zhang Liyi Shi Qiangbin Wang | 2016 | Nano Research2016，9，1： | 11 |
| 6 | Microstructural evolution and FCC twinning behavior during hot deformation of high temperature titanium alloy Ti65显示文摘Although the development of titanium alloys with working temperatures above 600?C faces enormous difficulties and challenges,the related research has not stopped.In the present work,detailed analyses on microstructure evolution and hot deformation behavior of a new temperature resistant 650?C titanium alloy Ti65 were investigated from micrometer scale to nanometer scale.The results revealed that lamellarαgrains gradually fragmentized and spheroidized during theα+βphase region compression and the orientation of the c-axis ofαgrains gradually aligned to radial directions,forming two high Schmid factors(SFs)value texture eventually with the increase of strain to 0.7.Moreover,there were some strengthening characters in theα+βphase region such as lenticularαsand nano silicide(TiZr)6 Si3.In theβphase region,fine equiaxed dynamic recrystallized(DRX)βgrains were formed.Besides,the variant selection ofαm′artensite followed Burgers orientation relationship during the compression process.The main deformation mechanisms of theα+βphase region were dislocation slip and orientation dependent spheroidization.Whereas,the deformation process in theβphase region was controlled byβgrain DRX.Interestingly,many nano scale FCC twins were generated at the interface ofαl′ath during deforming in theβphase region,which was firstly observed in Ti65 alloy. | Zhixin Zhang Jiangkun Fan Bin Tang Hongchao Kou Jian Wang Xin Wang Shiying Wang Qingjiang Wang Zhiyong Chen Jinshan Li | 2020 | Journal of Materials Science & Technology2020，47，14： | 10 |
| 7 | Method for Analyzing Articulated Torques of Heavy-duty Six-legged Robot显示文摘The accuracy of an articulated torque analysis influences the comprehensive performances of heavy-duty multi-legged robots. Currently, the extremal estimation method and some complex methods are employed to calculate the articulated torques, which results in a large safety margin or a large number of calculations. To quickly obtain accurate articulated torques, an analysis method for the articulated torque is presented for an electrically driven heavy-duty six-legged robot. First, the rearmost leg that experiences the maximum normal contact force is confirmed when the robot transits a slope. Based on the ant-type and crab-type tripod gaits, the formulas of classical mechanics and MATLAB software are employed to theoretically analyze the relevant static torques of the joints. With the changes in the joint angles for the abductor joint, hip joint, and knee joint, variable tendency charts and extreme curves are obtained for the static articulated torques. Meanwhile, the maximum static articulated torques and the corresponding poses of the robot are also obtained. According to the poses of the robot under the maximum static articulated torques, ADAMS software is used to carry out a static simulation analysis. Based on the relevant simulation curves of the articulated torques, the maximum static articulated torques are acquired. A comparative analysis of the maximum static articulated torques shows that the theoretical calculation values are higher than the static simulation values, and the maximum error value is approximately 10%. The proposed method lays a foundation for quickly determining accurate articulated torques to develop heavy-duty six-legged robots. | ZHUANG Hongchao GAO Haibo DING Liang LIU Zhen DENG Zongquan | 2013 | Chinese Journal of Mechanical Engineering2013，26，4： | 9 |
| 8 | MoSe2 porous microspheres comprising monolayer flakes with high electrocatalytic activity显示文摘综合的一条灵巧的胶体的线路 MoSe < 潜水艇 class= “ a-plus-plus ” > 2 有由 MoSe 组成的 400600 nm 的直径的多孔的 microspheres < 潜水艇 class= “ a-plus-plus ” > 2 个 单层薄片在厚度的 0.7 nm 被报导。溶剂 trioctylamine TOA 和 oleylamine 操作维护管理被发现在 MoSe 的形成起重要作用 < 潜水艇 class= “ a-plus-plus ” > 2 microspheres, TOA 由此决定三维的 3D microspherical 形态学和操作维护管理,指导 MoSe 的形成 < 潜水艇 class= “ a-plus-plus ” > 2 个 单层薄片。柔韧的 3D MoSe <潜水艇class=“ a-plus-plus ”> 2 microspheres 展览为 electrocatalytic 氢进化反应的显著活动和耐久性她在酸,维持 77 mV 的小发作过电位并且为 5 妈/厘米的当前的密度保留 100 mV 的小过电位<啜class=“ a-plus-plus ”>在 1,000 以后的 2 骑车。另外,类似的 3D WSe < 潜水艇 class= “ a-plus-plus ” > 2 microspheres 能被使用这个方法也准备。我们期望这条灵巧的胶体的线路能进一步被扩展综合将在域例如里发现应用的另外的多孔的结构在精力存储,催化作用,并且察觉到。 | Yejun Zhang Qiufang Gong Lun Li Hongchao Yang Yanguang Li Qiangbin Wang | 2015 | Nano Research2015，8，4： | 9 |
| 9 | Orientation dependent behavior of tensile-creep deformation of hot rolled Ti65 titanium alloy sheet显示文摘The mill products like sheet always have one or more severe textures inevitably,and its effect on mechanical properties is not a negligible issue.The orientation dependent tensile-creep behavior induced by rolling texture of Ti65 titanium alloy sheet has been systematically investigated at 650℃.There are some anisotropic characteristics between TD and RD of Ti65 sheet.The UTS and TYS of TD are higher than RD at 650℃.Besides,the creep endurance time of TD(172.6–174.5 h)is about three times longer than RD(55.6–65.1 h)at 650℃and 240 MPa.Moreover,the grains are inclined to form Texture III■after creep along with TD,but to form Texture I■after creep along with RD.Finally,the crack initiation site is different during creep in TD and RD.The reason for anisotropic properties of tensile and creep has been summarized in two aspects:(i)the change of the SFs(Schmid factors)value between TD and RD;(ii)the difference of creep mechanism between TD(grain boundary sliding)and RD(dislocation slip).Anisotropy of Ti65 sheet should be fully considered to increase structural efficiency in the engineering design and application. | Zhixin Zhang Jiangkun Fan Ruifeng Li Hongchao Kou Zhiyong Chen Qingjiang Wang Hailong Zhang Jian Wang Qi Gao Jinshan Li | 2021 | Journal of Materials Science & Technology2021，，16： | 7 |
| 10 | Remaining Useful Life Model and Assessment of Mechanical Products: A Brief Review and a Note on the State Space Model Method显示文摘The remaining useful life(RUL) prediction of mechanical products has been widely studied for online system performance reliability, device remanufacturing, and product safety(safety awareness and safety improvement). These studies incorporated many di erent models, algorithms, and techniques for modeling and assessment. In this paper, methods of RUL assessment are summarized and expounded upon using two major methods: physics model based and data driven based methods. The advantages and disadvantages of each of these methods are deliberated and compared as well. Due to the intricacy of failure mechanism in system, and di culty in physics degradation observation, RUL assessment based on observations of performance variables turns into a science in evaluating the degradation. A modeling method from control systems, the state space model(SSM), as a first order hidden Markov, is presented. In the context of non-linear and non-Gaussian systems, the SSM methodology is capable of performing remaining life assessment by using Bayesian estimation(sequential Monte Carlo). Being e ective for non-linear and non-Gaussian dynamics, the methodology can perform the assessment recursively online for applications in CBM(condition based maintenance), PHM(prognostics and health management), remanufacturing, and system performance reliability. Finally, the discussion raises concerns regarding online sensing data for SSM modeling and assessment of RUL. | Yawei Hu Shujie Liu Huitian Lu Hongchao Zhang | 2019 | Chinese Journal of Mechanical Engineering2019，32，1： | 6 |
| 11 | Toll-like receptor 4 is up-regulated by mTOR activation during THP-1 macrophage foam cells formation显示文摘巨噬细胞泡沫房间形成是在动脉粥样硬化患者匾形成和开发的最重要的过程。像使用费的受体(TLR4 ) 4 是内长的损坏信号的重要天生的有免疫力的传感器之一并且为调整发炎关键。成长证据显示 TLR4 在巨噬细胞泡沫房间形成起一个很重要的作用。然而,在巨噬细胞调整 TLR4 表示的内在的机制充分没被理解。在这研究,我们与氧化修改低密度的脂蛋白(ox-LDL ) 导致了 THP-1 巨噬细胞泡沫房间形成。我们观察到那 TLR4 mRNA 和蛋白质表情是显著地起来调整的,并且 rapamycin (mTOR ) 和它的下游的目标 p70S6K 的哺乳动物的目标的 phosphorylation 在泡沫房间形成期间被支持。堵住的 mTOR phosphorylation 和禁止的 TLR4 表示由 ox-LDL 导致了的 mTOR 禁止者 rapamycin。由小介入 RNA 的 Silencing mTOR, rictor 或猛禽蛋白质表示,也分别地禁止了 TLR4 表示的起来规定。有 rapamycin 的 mTOR 的抑制颠倒了细胞的类脂化合物流出调停人 ABCA1 的下面规定,它由 ligands 源于 TLR4 的激活。这些数据建议那个 TRL4 表达式在 THP-1 巨噬细胞泡沫房间形成期间由 mTOR 信号小径激活上的一个机制依赖者是起来调整的。ox-LDL 的抑制导致了 mTOR 激活减少了 TLR4 表示,并且改进了损害类脂化合物流出。 | Miao Yu Xiaomin Kang Hong Xue Hongchao Yin | 2011 | Acta Biochimica et Biophysica Sinica2011，43，12： | 6 |
| 12 | Tribological Behavior of Al CoCrFeNi(Ti_(0.5))High Entropy Alloys under Oil and MACs Lubrication显示文摘The tribological properties of AlCoCrFeNi and AlCoCrFeNiTi_(0.5) high entropy alloys under gear oil and multiply alkylated cyclopentanes(MACs)lubrication condition have been studied.The equiaxed crystal structure of AlCoCrFeNi alloy is obtained after heat-treatment.The AlCoCrFeNiTi_(0.5) alloy keeps dendrite structure.Under the gear oil with good lubrication action,AlCoCrFeNiTi_(0.5) alloy preserves better tribological properties than AlCoCrFeNi alloy.The delamination and crack behaviors tend to occur in the grain boundary of AlCoCrFeNi alloy and along the interdendrite region of AlCoCrFeNiTi_(0.5) alloy.Under the MACs with relatively poor lubrication action,the applied load slightly influences the wear behavior of AlCoCrFeNi alloy,but seriously impacts the wear mechanism of AlCoCrFeNiTi_(0.5) alloy.Compared with AlCoCrFeNi alloy,AlCoCrFeNiTi_(0.5) alloy keeps better wear-resistance at low applied load of 100 N,but preserves less wearresistance at high applied load of 200 N. | Yuan Yu Jun Wang Jinshan Li Jun Yang Hongchao Kou Weimin Liu | 2016 | Journal of Materials Science & Technology2016，32，5： | 6 |
| 13 | Navigation Map Data Representation and Parallel Display Algorithm in an Embedded Environment显示文摘地图数据显示是在嵌入的即时航行下面的基本信息表示模式。在有几种尺寸和相应数学描述公式的航行显示器数据集(NDIS_SET ) 被设计以后,一系列规则和算法被推进优化嵌入的航行数据并且支持数据索引和输入效率。在一个正常航行数据显示算法说出 NDIS,相关问题被分析以后,有数据说出 N_PDIS 的航行的一个新平行显示器算法然后被介绍适应计算和存储器的有限嵌入的资源。N_PDIS 能同时地由二个平行线程创造二张准备位图并且交换他们之一自动地屏蔽。与 NDIS 相比,结果证明 N_PDIS 在改进显示效率是更有效的。 | ZHANG Dong WANG Ling HUI Hongchao LI Heyuan | 2008 | Geo-Spatial Information Science2008，11，1： | 5 |
| 14 | On the atmospheric movement and the imbalance of observed and calculated energy in the surface layer显示文摘Based on existing researches,here we theoretically summarized the characteristics of the atmospheric movement and turbulent transport of energy and substance in the surface layer as well as the ideal and the actual models for the turbulent transport.Then,using the data observed with eddy covariance at the semiarid climate and environment monitoring station(SACOL) in Lanzhou University from May to October during four consecutive years(September 2006-August 2010),we conducted a detailed analysis of the turbulent transport in the surface layer,through introducing the relative vertical turbulence intensity to characterize the turbulence strength,RIw=wn(wn+U),and also by adopting the method for controlling data quality at different levels.Our conclusions are:(1) The turbulent transport of energy and substance in the surface layer must obey the law of conservation of energy and the law of conservation of matter,the observed and calculated energy in the surface layer must be balanced,or closed in theory,but the actual observed and calculated energy just approximates the ideal in some degree and is difficult to achieve the energy balance.(2) The energy closure rate depends much on the atmospheric state in the surface layer,and the energy closure rate increases generally with the relative vertical turbulence intensity.(3) By the way of controlling data quality at different levels,it is found that the degree of data quality control can affect the closure rate,but it does not change the fact that the energy closure rate depends on the atmospheric state.(4) The calculation method of surface soil heat flux can affect energy closure rate,but does not change its dependence on the atmospheric state. | ZUO HongChao XIAO Xia YANG QiDong DONG LongXiang CHEN JiWei WANG ShuJin | 2012 | Science China Earth Sciences2012，55，9： | 5 |
| 15 | ω-Assisted refinement of α phase and its effect on the tensile properties of a near β titanium alloy显示文摘In this work, the phase transformation sequence during the continuous heating process(3℃/min) was investigated in a near β titanium alloy. The results show that the staring formation of ω phase is about267℃, and the ending precipitation temperature about 386℃ during the heating process. When the heating temperature is greater than 485℃, there are no ω phase detected within the β matrix. Combined with the microstructural characterization, it is found that ω phase facilitates the nucleation of αphase nearby the ω/β interface and has a great effect on the refinement for α phase. As compared with the specimens directly aged, the specimens with ω-assisted refinement of α phase possess high tensile strength, but there is no yield stage detected on their stress-strain curve. Combined with the analyses of the fracture morphology, the specimens with ω-assisted refinement of α phase present a brittle fracture.This is mainly ascribed to its relatively lager width of grain boundaries and the absence of widmanst?ttenα precipitates. | Ruifeng Dong Jinshan Li Hongchao Kou Jiangkun Fan Yuhong Zhao Hua Hou Li Wu | 2020 | Journal of Materials Science & Technology2020，44，9： | 5 |
| 16 | 1.82 wt.% Pt/N, P co-doped carbon overwhelms 20 wt.% Pt/C as a high-efficiency electrocatalyst for hydrogen evolution reaction显示文摘为氢进化反应的划算的 electrocatalysts (她的) 在可更新的精力的地里起一个关键作用。尽管巨大的努力被奉献给其他的材料的搜索, Pt/C 仍然是为 HER 的最有效的 electrocatalyst。不过,减少在设计 eletrocatalysts 装载磅具有意义。与装载的低磅,然而,它正在质问维持优秀催化性能。此处,新催化剂(Pt/NPC ) 被与 1.8 nm 的一条平均直径驱散磅 nanoparticles (PtNPs ) 在上准备一三维(3D ) 碳网络与 N 和 P 共同做。因为 N 和 P 掺杂物的高 electronegativity, PtNPs 一致地经由与磅和碳的高电子的亲密关系在碳网络上被驱散,负担得起 Pt/NPC 催化剂;Pt/NPC 展出了上级她的活动,归因于充电的捐赠从 N 和 P 引起到磅的磅 d 乐队的换至较低排挡。有 1.82 wt.% 装载的 ultralow 磅的 Pt/NPC 展出的结果表演优秀她的表演,它对应于一她比那大的集体活动 20.6 褶层在 20 mV 对 RHE 的过电位为广告 20% Pt/C 观察了。 | Changhong Wang Feng Hu Hongchao Yang Yejun Zhang Huan Lu Qiangbin Wang | 2017 | Nano Research2017，10，1： | 5 |
| 17 | Hydrothermal Synthesis of Cs_xWO_3 and the Effects of N_2 Annealing on its Microstructure and Heat Shielding Properties显示文摘Cesium tungsten bronze(Cs_xWO_3) powders were synthesized by hydrothermal reaction at 190 ℃ by using sodium tungstate and cesium carbonate as raw materials,and the effects of N_2 annealing on the microstructure and near-infrared(NIR) shielding as well as heat insulation properties of Cs_xWO_3 were investigated.The results indicated that the synthesized Cs_xWO_3 powders exhibited hexagonal Cs_(0.32)WO_3crystal structure,and subsequent N_2 annealing could further improve the crystallinity of CsxW03 particles.Moreover,the NIR shielding and heat insulation properties of Cs_xWO_3 could be further improved after N_2annealing at appropriate temperature for a period of time.Particularly,the 500 ℃-annealed Cs_xWO_3 products in the N_2 atmosphere showed the best NIR shielding and heat insulation properties.When the N_2 annealing temperature was higher than 700 ℃,the NIR shielding properties decreased again.The 800 ℃-annealed samples in the N_2 atmosphere showed higher visible light transmittance,however,the NIR shielding properties were lower than that of the non-annealed samples. | Fei Shi Jingxiao Liu Xiaoli Dong Qiang Xu Jiayu Luo Hongchao Ma | 2014 | Journal of Materials Science & Technology2014，30，4： | 5 |
| 18 | Synthesis of LiFePO_4 in situ vapor-grown carbon fiber (VGCF) composite cathode material via microwave pyrolysis chemical vapor deposition显示文摘One of the most important factors that limits the use of LiFePO 4 as cathode material for lithium ion batteries is its low electronic conductivity.In order to solve this problem,LiFePO 4 in situ vapor-grown carbon fiber (VGCF) composite cathode material has been prepared in a single step through microwave pyrolysis chemical vapor deposition.The phase,microstructure,and electrochemical performance of the composites were investigated.Compared with the cathodes without in situ VGCF,the initial discharge capacity of the composite electrode increases from 109 to 144 mA h g-1 at a 0.5-C rate,and the total electric resistance decreases from 538 to 66.The possible reasons for these effects are proposed. | DENG Fei ZENG XieRong ZOU JiZhao HUANG JianFeng SHENG HongChao XIONG XinBo QIAN HaiXia LI XiaoHua | 2011 | Chinese Science Bulletin2011，56，17： | 4 |
| 19 | A new simple model trust-region method with generalized Barzilai-Borwein parameter for large-scale optimization显示文摘In this paper, a new trust region method with simple model for solving large-scale unconstrained nonlinear optimization is proposed. By employing the generalized weak quasi-Newton equations, we derive several schemes to construct variants of scalar matrices as the Hessian approximation used in the trust region subproblem. Under some reasonable conditions, global convergence of the proposed algorithm is established in the trust region framework. The numerical experiments on solving the test problems with dimensions from 50 to 20,000 in the CUTEr library are reported to show efficiency of the algorithm. | ZHOU QunYan SUN WenYu ZHANG HongChao | 2016 | Science China Mathematics2016，59，11： | 4 |
| 20 | Nitrogen reduction reaction on small iron clusters supported by N-doped graphene:A theoretical study of the atomically precise active-site mechanism显示文摘Nonprecious metal catalysts are known of significance for electrochemical N2 reduction reaction(NRR)of which the mechanism has been illustrated by ongoing investigations of single atom catalysis.However,it remains challenging to fully understand the size-dependent synergistic effect of active sites inherited in substantial nanocatalysts.In this work,four types of small iron clusters Fen(n=1–4)supported on nitrogen-doped graphene sheets are constructed to figure out the size dependence and synergistic effect of active sites for NRR catalytic activities.It is revealed that Fe3 and Fe4 clusters on N4G supports exhibit higher NRR activity than single-iron atom and iron dimer clusters,showing lowered limiting potential and restricted hydrogen evolution reaction(HER)which is a competitive reaction channel.In particular,the Fe4-N4G displays outstanding NRR performance for“side-on”adsorption of N2 with a small limiting potential(−0.45 V).Besides the specific structure and strong interface interaction within the Fe4-N4G itself,the high NRR activity is associated with the unique bonding/antibonding orbital interactions of N-N and N-Fe for the adsorptive N2 and NNH intermediates,as well as relatively large charge transfer between N2 and the cluster Fe4-N4G. | Chaonan Cui Hongchao Zhang Zhixun Luo | 2020 | Nano Research2020，13，8： | 4 |
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