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Transition metal embedded in nonmetal-doped T-carbon [110]: A superior synergistic trifunctional electrocatalyst for HER, OER and ORR

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Journal of Energy Chemistry 2023年第8期83卷 79-89,I0004页

作者： Zhengqin Zhao Jinbo Hao baonan jia Xinhui Zhang Ge Wu Chunling Zhang Long Li Shuli Gao Yirong Ma Yuanzi Li Pengfei Lu School of Science Xian University of Architecture and TechnologyXi'an 710055ShaanxiChina State Key Laboratory of Information Photonics and Optical Communications Beijing University of Posts and TelecommunicationsBeijing 100876China School of Electronic Engineering Beijing University of Posts and TelecommunicationsBeijing 100876China School of Integrated Circuits Beijing University of Posts and TelecommunicationsBeijing 100876China

The design of efficient and low-cost multifunctional electrocatalysts for hydrogen evolution reaction(HER), oxygen evolution reaction(OER) and oxygen reduction reaction(ORR) is critical for the development of clean energy. Two-dimensional(2D) carbon-based nano-materials are becoming more and more popular in heterogeneous catalysis due to their cost-effective and multi-scale tunability as single-atom catalysis(SACs) substrates. In this paper, by using first-principles calculation, we designed and demonstrated a novel macropore T-carbon [110](TC) monolayer as 2D electrocatalyst substrate for HER/OER/ORR, and the synergistic modification of the transition metal and nonmetal atoms(TM-X) were investigated to enhance the multifunctional electrocatalytic performance. We screened out the Co embedded in N-doped TC(Co3@N-TC) from 30 TM@X-TC monolayers as a trifunctional electrocatalysts, which exhibits superior performance for HER/ORR/OER on both thermodynamic and kinetic scales, and with excellent thermal and electrochemical stability. Then, the TC monolayer is naturally macropore with a diameter of 5.36 A and exhibits excellent adsorption capacity for the intermediates and products of the redox reactions. Moreover, we revealed the origin of the electrocatalytic activity using the crystal orbital Hamilton population(COHP) and the molecular orbitals(MOs). The d orbital of Co3@N-TC is significantly hybridized with the p orbital of the intermediates, so that the lone electrons initially occupied in the antibonding state pair up and occupy the downward bonding state, allowing *OH to be appropriately adsorbed onto the TC monolayer. This work not only demonstrates that the TM@X-TC monolayer is a superior synergistic trifunctional electrocatalyst, but also reveals a macropore monolayer material with potential applications in electrocatalysis.

关键词： Carbon-based nano-materials Macropore Single-atom catalyst Multifunctional electrocatalyst First-principles calculation

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New mechanistic insights into CO_(2) electroreduction to methane on penta-octa-graphene catalyst

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Journal of Energy Chemistry 2024年第12期99卷 529-540页

作者： Yirong Ma Jinbo Hao baonan jia Xinhui Zhang Chunling Zhang Ge Wu Changcheng Chen Yuanzi Li Zhiyuan Zhou Qiyu Li Pengfei Lu School of Science Xi'an University of Architecture and TechnologyXi'an 710055ShanxiChina School of Automation and Electrical Engineering University of Science and Technology BeijingBeijing 100083China School of Integrated Circuits Beijing University of Posts and TelecommunicationsBeijing 100876China

Electrocatalytic reduction of CO_(2) to produce high value-added products is an important way to achieve sustainable production of green energy,but it is limited by high complexity of the catalyst structure and reaction process,making the rational design of the catalyst and the targeted generation of specific products a huge ***,based on the penta-octa-graphene(POG)with sp~2 and sp~3 hybrid as the prototype,we theoretically guide the design of CO_(2) electrocatalytic reduction(CO_(2)RR)catalyst over pure POG and TM doping POG(TM@POG).Our mechanistic study highlights two key factors in new pathway for CH_(4) production and catalytic performance,i.e.,TM provides electron transfer for the key intermediate*CHO,promoting the activation of CO_(2),and the type of protonation for CO_(2)RR is determined by the charge accumulation on the O atom of the *** reduces the complexity of the reaction and provides a predictive effect on the formation of *** importantly,the proper values of the Gibbs free energy indicate that TM@POG is an ideal catalyst candidate,especially the Fe@POG,which is superior to Cu(211)*** this basis,three simple descriptors(Bader charge,d-band centerε_dand descriptorφ)based on the inherent properties of atoms were constructed to reveal the underlying causes of the improvement of catalytic *** results provide a new understanding of the’structure-performance’relationship of carbon-based electrocatalysts,thus providing a useful strategy for the design of catalysts for CO_(2)RR.

关键词： Penta-octa-graphene Carbon dioxide reduction Catalytic descriptor First-principles calculation

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A 3–5μm broadband YBCO high-temperature superconducting photonic crystal

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Chinese Physics B 2023年第3期32卷 291-298页

作者：刘刚李远航贾宝楠高永潘韩利红芦鹏飞宋海智 Beijing Key Laboratory of Space-Ground Interconnection and Convergence Beijing University of Posts and TelecommunicationsBeijing 100876China School of Electronic Engineering Beijing University of Posts and TelecommunicationsBeijing 100876China State Key Laboratory of Information Photonics and Optical Communications Beijing University of Posts and TelecommunicationsBeijing 100876China Southwest Institute of Technical Physics Chengdu 610041China

Photonic crystal structures have excellent optical properties,so they are widely studied in conventional optical *** research shows that high-temperature superconducting periodic structures have natural photonic crystal features and they are favourable candidates for single-photon *** that superconductors have completely different properties from conventional optical materials,we study the energy level diagram and mid-infrared 3μm–5μm transmission spectrum of two-dimensional superconducting photonic crystals in both superconducting and quenched states with the finite element *** energy level diagram of the circular crystal column superconducting structure shows that the structure has a large band gap width in both *** the same fill factor,the circular crystal column superconducting structure has a larger band gap width than the others *** lattice structures,the zero transmission point of the square lattice structure is robust to the incident angle and environmental *** research has guiding significance for the design of new material photonic crystals,photon modulation and detection.

关键词： high-temperature superconducting mid-infrared photonic crystal single-photon detection

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Understanding the local structure and thermophysical behavior of Mg-La liquid alloys via machine learning potential

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 439-449页

作者： jia Zhao Taixi Feng Guimin Lu National Engineering Research Center for Integrated Utilization of Salt Lake Resource East China University of Science and TechnologyShanghai 200237China Joint International Laboratory for Potassium and Lithium Strategic Resources East China University of Science and TechnologyShanghai 200237China

The local structure and thermophysical behavior of Mg-La liquid alloys were in-depth understood using deep potential molecular dynamic(DPMD) simulation driven via machine learning to promote the development of Mg-La alloys. The robustness of the trained deep potential(DP) model was thoroughly evaluated through several aspects, including root-mean-square errors(RMSEs), energy and force data, and structural information comparison results;the results indicate the carefully trained DP model is reliable. The component and temperature dependence of the local structure in the Mg-La liquid alloy was analyzed. The effect of Mg content in the system on the first coordination shell of the atomic pairs is the same as that of temperature. The pre-peak demonstrated in the structure factor indicates the presence of a medium-range ordered structure in the Mg-La liquid alloy, which is particularly pronounced in the 80at% Mg system and disappears at elevated temperatures. The density, self-diffusion coefficient, and shear viscosity for the Mg-La liquid alloy were predicted via DPMD simulation, the evolution patterns with Mg content and temperature were subsequently discussed, and a database was established accordingly. Finally, the mixing enthalpy and elemental activity of the Mg-La liquid alloy at 1200 K were reliably evaluated,which provides new guidance for related studies.

关键词： magnesium-lanthanum liquid alloys local structure macroscopic properties thermodynamic behavior deep potential mo-lecular dynamic simulation

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掺铋光纤铋活性中心发光机理的研究进展

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激光技术 2020年第6期44卷 657-663页

作者：贾宝楠王付刚孙仕豪刘刚芦鹏飞北京邮电大学信息光子学与光通信研究院北京100876 北京邮电大学电子工程学院北京100876

掺铋光纤具有独特的发光特性,在光纤放大器和激光器中有着广阔的应用前景。为了掌握掺铋光纤的发光机理,研制出高效率、高性能的掺铋材料,整理了掺铋光纤发光机理的研究成果,从铋活化中心的结构和发光特性出发,总结了掺铋光纤中不同结... 详细信息

掺铋光纤具有独特的发光特性,在光纤放大器和激光器中有着广阔的应用前景。为了掌握掺铋光纤的发光机理,研制出高效率、高性能的掺铋材料,整理了掺铋光纤发光机理的研究成果,从铋活化中心的结构和发光特性出发,总结了掺铋光纤中不同结构与发光波长之间的关系。掺铋材料由于具有荧光寿命长、光谱范围宽等优点,有望在超宽带光源、超宽带放大器、可调谐激光器等领域得到更为广泛的应用。

关键词：光纤光学铋活性中心第一性原理掺铋光纤

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一阶RC电路“非正常”现象探究的启发式教学探索与实践

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实验技术与管理 2024年第9期41卷 177-185页

作者：冯涛李擎张瀚文俎云霄贾宝楠金子杰北京科技大学自然科学基础实验中心北京100083 北京科技大学自动化学院北京100083 北京邮电大学电子工程学院北京100876

针对传统一阶RC电路实验中存在的工程背景较弱、探究空间小、对学生启发性不够问题,从实验方案、实验内容、实验手段等多个方面进行了较大幅度改革。采用“直流电压源+机械开关”的新型实验方案,让电路暴露出多种体现实际工程特性的“... 详细信息

针对传统一阶RC电路实验中存在的工程背景较弱、探究空间小、对学生启发性不够问题,从实验方案、实验内容、实验手段等多个方面进行了较大幅度改革。采用“直流电压源+机械开关”的新型实验方案,让电路暴露出多种体现实际工程特性的“非正常”现象,提高了实验的创新性;以“非正常”现象为切入点,引导学生深入探究实际电路中普遍存在的杂散电容、开关抖动、仪器内阻等工程要素,锻炼学生工程思维,提高了实验的高阶性;构建“线上SPOC学习+线下智慧实验”混合式智慧化学习闭环,强化学生自主学习,严格实施过程考核,增加了实验的挑战度。教学实践表明,改革后的一阶RC电路实验有助于加深学生对动态电路响应过程本质和内涵的理解,有助于提高学生问题分析和电路调试能力,有助于锻炼学生的创新思维和工程素养,具有较大的推广应用价值。

关键词：电路实验实验教学改革一阶RC电路实验启发式教学

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物联网型智慧电路技术实验平台设计及应用

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中国现代教育装备 2024年第13期 18-19,28页

作者：冯涛李擎贾宝楠林颖北京科技大学北京100083

依据北京科技大学人才培养定位以及新工科、工程教育专业认证对学生能力培养的要求,研发了可开展智慧实验教学的电路技术实验平台。该实验平台以物联网、大数据等新技术为基础,对电路实验教学的各个环节进行优化和改造,实现了电路实验... 详细信息

依据北京科技大学人才培养定位以及新工科、工程教育专业认证对学生能力培养的要求,研发了可开展智慧实验教学的电路技术实验平台。该实验平台以物联网、大数据等新技术为基础,对电路实验教学的各个环节进行优化和改造,实现了电路实验教学从预习考查、实验指导,到数据批改、评价考核的全流程电子化、自动化,在实际应用中取得了较好的育人效果。

关键词：智慧教学实验教学实验平台人才培养

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16.48% Efficient solution-processed CIGS solar cells with crystal growth and defects engineering enabled by Ag doping strategy

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Journal of Energy Chemistry 2025年第1期100卷 59-65页

作者： Mengyu Xu Shaocong Yan Ting Liang jia jia Shengjie Yuan Dongxing Kou Zhengji Zhou Wenhui Zhou Yafang Qi Yuena Meng Litao Han Sixin Wu Key Laboratory for Special Functional Materials of MOE National & Local Joint Engineering Research Centre for High-efficiency Display and Lighting Technology School of Nanoscience and Materials Engineering Henan University

Solution-processed Cu（In,Ga）Se2（CIGS） solar cells suffer from serious carrier recombination and power conversion efficiency（PCE） loss because of the poor film properties and easy formation of ***, we propose Ag&Se co-selenization strategy to enhance the crystallization and passivate harmful defects of the CIGS films. The formation of Ag-Se phase during the selenization process enables the formation of large grains and suppresses the deep level defects. It is found that Ag doping can enlarge the depletion region width, lower the Urbach energy and prolong the carrier lifetime. As a result, a champion solution-processed CIGS solar cell presents a high efficiency of 16.48% with the highly improved opencircuit voltage（VOC） of 662 m V and fill factor（FF） of 75.8%. This work provides an efficient strategy to prepare high quality solution-processed CIGS films for high-performance CIGS solar cells.

关键词： CIGS solar cells Solution-processed method Ag doping Crystal growth Defects engineering

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Bi^0与石英光纤本征缺陷作用机制研究

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西华大学学报（自然科学版） 2019年第4期38卷 10-15,61页

作者：杨斌贾宝楠张杰孙仕豪芦鹏飞科技部高技术研究发展中心北京100044 北京邮电大学信息光子学与光通信研究院北京100876

基于第一性原理,研究Bi0与石英光纤本征缺陷(ODC(I)和POL)的相互作用机制,计算了反应路径、形成能、电子结构和光学吸收谱等。通过分析反应路径,发现Bi0更易与缺陷POL发生相互作用,反应产物更加稳定,且反应后Bi在该中心表现为二价。当Bi... 详细信息

基于第一性原理,研究Bi0与石英光纤本征缺陷(ODC(I)和POL)的相互作用机制,计算了反应路径、形成能、电子结构和光学吸收谱等。通过分析反应路径,发现Bi0更易与缺陷POL发生相互作用,反应产物更加稳定,且反应后Bi在该中心表现为二价。当Bi0与本征缺陷ODC(I)产生反应时,Bi原子会与缺陷中的两个Si原子形成一种复杂的络合物结构,从而产生一个位于1400~1500nm近红外波段的吸收峰。本文的计算结果对深入分析石英光纤中Bi0与本征缺陷的作用机制,以及对掺铋光纤的制备过程具有重要的指导意义。

关键词：第一性原理本征缺陷作用机制 Bi^0

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面接触多阶变径组合航空拖缆的研制*

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金属制品 2006年第1期32卷 1-3页

作者：冯春玲张庆华贾宝楠史书祥天津市金鼎一绳钢丝绳有限公司中国人民解放军92419部队

对面接触多阶变径组合航空拖缆研制中需解决的关键技术进行论述。选用72钢盘条作为拖缆钢丝原料,拉丝采用多道次、小压缩率、适当低速的方法,面接触成型采用固定整体模拔法,适当增大拉拔模的入口角、工作锥角、定径带长度,并选用适宜的... 详细信息

对面接触多阶变径组合航空拖缆研制中需解决的关键技术进行论述。选用72钢盘条作为拖缆钢丝原料,拉丝采用多道次、小压缩率、适当低速的方法,面接触成型采用固定整体模拔法,适当增大拉拔模的入口角、工作锥角、定径带长度,并选用适宜的润滑油冷却和润滑,成型缆绳达到设计要求。

关键词：面接触航空拖缆压缩率不旋转性能接头方式

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