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Isolated Cu-Sn diatomic sites for enhanced electroreduction of CO_(2)to CO

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Nano Research 2023年第7期16卷 8729-8736页

作者： Wei Liu Haoqiang Li Pengfei Ou Jing Mao Lili Han jun Song jun Luo Huolin L.Xin State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of MatterChinese Academy of SciencesFuzhou 350002China Department of Physics and Astronomy University of CaliforniaIrvineCA 92697USA Tsinghua Shenzhen International Graduate School Tsinghua UniversityShenzhen 518055China School of Materials Science and Engineering Tianjin Key Lab of Photoelectric Materials&DevicesTianjin University of TechnologyTianjin 300384China Department of Mining and Materials Engineering McGill UniversityMontreal H3A 0C5Canada Teaching and Analytical Instrumentation Center School of Materials Science and EngineeringTianjin UniversityTianjin 300072China

Electrochemical CO_(2)reduction reaction(CO_(2)RR)to high-value product,CO,not only provides a key feedstock for the wellestablished Fischer-Tropsch process but also mitigates the greenhouse ***,it suffers from sluggish reaction kinetics,competitive hydrogen evolution reaction,and low ***,we report non-precious Cu-Sn diatomic sites anchored on nitrogen-doped porous carbon(CuSn/NPC)as an efficient catalyst for CO_(2)RR to *** catalyst exhibits outstanding selectivity with CO Faradaic efficiency(FE)up to 99.1%,much higher than those of individual Cu(66.2%)and Sn(51.3%)single-atom ***,high stability is confirmed by consecutive 24 h electrolysis with high selectivity from CO_(2)to *** calculations reveal an obvious activation of CO_(2)with weakened C-O bonds and distorted CO_(2)configuration upon chemisorption on the CuSn/NPC *** is also suggested CuSn/NPC is more selective for the CO_(2)RR with dominant CO production during the electrolysis,rather than the competing hydrogen evolution reaction.

关键词： CO_(2)reduction reaction Cu-Sn active site CO product dual-atom electrocatalyst density functional theory(DFT)calculation

Quantum information processing with nuclear spins mediated by a weak-mechanically controlled electron spin

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Communications in Theoretical Physics 2022年第5期74卷 15-23页

作者： Wan-jun Su Guang-Zheng Ye Department of Physics Fuzhou UniversityFuzhou 350002 China

We propose a scheme to achieve nuclear–nuclear indirect interactions mediated by a mechanically driven nitrogen-vacancy(NV)center in a *** we demonstrate twoqubit entangling gates and quantum-state transfer between two carbon *** the dipole–dipole interaction strength is much larger than the driving field strength,the scheme is robust against decoherence caused by coupling between the NV center(nuclear spins)and the ***,precise control of dipole coupling is not required so this scheme is insensitive to fluctuating positions of the nuclear spins and the NV *** scheme provides a general blueprint for multi-nuclear-spin gates and for multi-party communication.

关键词： dipole–dipole interaction mechanically control NV center quantum Zeno effect

New type of layered Polyoxomolybdenum Diphosphonate

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New type of layered Polyoxomolybdenum Diphosphonate

Infrared Absorption Cut-Off of Molecular Nonlinear Optical Crystals: Theoretical Studies on Vibrational Spectra of MDNB, Urea and MNA Molecules

中国化学会第五届全国结构化学学术会议

作者： jun-Ling Song Jiang-Gao Mao~* Fujian Institute of Research on the Structure of Matter,The Chinese Academy of Sciences,fuzhou 350002,P.R.China,

＜正＞Polyoxometalates are metal-oxygen clusters with tremendous structural diversities and potential applications in different fields including catalysis,medicine,and materials science.A variety of approaches have be...

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Chinese Physics Letters 1999年第12期16卷 925-927页

作者： WU Ke-chen LI jun Fujian Institute of Research on the Structure of Matter Chinese Academy of SciencesFuzhou 350002 Department of Chemistry The Ohio State UniversityColumbusOhio 43210-1173USA

A theoretical model has been set up for evaluating the infrared absorption cut-off (λIR) of molecular nonlinear optical (NLO) crystals on the basis of calculated molecular infrared vibrational spectra. This model is applied to meta-dinitrobenzene (MDNB), urea, and 2-methyl-4-nitroaniline (MNA) crystals. The λIR values for MDNB and urea crystals are predicted to be 2.0 and 1.37μm, respectivelx which are in good agreement with experimental measurements. Although the λIR of MNA is experimentally unknown yet, we predict it to be 1.50μm. The theoretical analysis indicates that, while the λIR of MDNB arises from asymmetric torsion of N-O in the molecule, those of urea and MNA arise from symmetric N-H stretch and C-H stretch, respectively. These results should be helpful for the molecular design of novel infrared NLO crystals.

关键词： arise Infrared torsion

High-entropy oxide-supported platinum nanoparticles for efficient hydrogen evolution reaction

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Rare Metals 2024年第4期43卷 1537-1546页

作者： Ming-Yu Fan Jia-jun Wang jun Zhao Hong Zhang Tian-Yi Ma Xiao-Peng Han Wen-Bin Hu School of Materials Science and Engineering Tianjin Key Laboratory of Composite and Functional Materials Key Laboratory of Advanced Ceramics and Machining TechnologyTianjin UniversityTianjin300350China Joint School of National University of Singapore and Tianjin University International Campus of Tianjin UniversityFuzhou350207China School of Science RMIT UniversityMelbourneVIC3000Australia

High-entropy oxides(HEOs)are a new class of single-phase structures with unique electronic and catalytic properties;therefore,it is worthwhile to explore their applications in *** this study,a Pt/(FeCoNiCrAl)_(3)O_(4)nanohybrid using HEO as a support was developed as an efficient catalyst for the hydrogen evolution reaction(HER).Pt/(FeCoNiCrAl)_(3)O_(4)exhibited high HER activity with a low overpotential of 22 mV at10 mA·cm^(-2),outperforming other binary,ternary,and quaternary *** HER activity of Pt/(FeCoNiCrAl)_(3)O_(4)was higher than that of a commercial Pt/C with a significantly lower Pt *** catalyst exhibited good activity and long-term stability(60 h)in an electrolytic water-splitting *** good activity can be attributed to the fact that the introduction of Pt effectively facilitates electronic interactions between Pt and the *** addition,the HEO substrate was more favorable for dispersing Pt particles,optimizing the electrochemical specific surface area,and significantly reducing the charge resistance of the *** study extends the application of HEOs in electrocatalysis and demonstrates the promising prospects of HEOs as supports for electrocatalysts.

关键词： High-entropy oxides Hydrogen evolution reaction Nanohybrid Water electrolysis

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厚层软岩断顶充填沿空留巷关键参数研究

采矿与安全工程学报 2019年第6期36卷 1128-1136页

作者：唐芙蓉马占国杨党委戚福周胡俊陈永珩中国矿业大学物理学院江苏徐州221116 中国矿业大学深部岩土力学与地下工程国家重点实验室江苏徐州221116 中国矿业大学力学与土木工程学院江苏徐州221116

针对厚层软岩顶板沿空留巷的技术难题,提出厚层软岩顶板断顶充填沿空留巷技术,创建"断顶卸压+巷旁垮落充填"沿空留巷围岩协调控制方法,构建厚层软岩断顶充填沿空留巷数值模型,研究断顶角度和预制裂缝间距对实体煤壁支承应力、巷旁垮落... 详细信息

针对厚层软岩顶板沿空留巷的技术难题,提出厚层软岩顶板断顶充填沿空留巷技术,创建"断顶卸压+巷旁垮落充填"沿空留巷围岩协调控制方法,构建厚层软岩断顶充填沿空留巷数值模型,研究断顶角度和预制裂缝间距对实体煤壁支承应力、巷旁垮落充填体稳定性对覆岩变形规律的影响。研究结果表明:断顶角度为5°时,减小了充填体上方岩层回转变形的空间,减小了剪切破坏区,缓解了采空侧顶板下沉剧烈程度;预制裂缝间隔为1 m时,在工作面后方,顶板岩层预制裂缝能及时扩展贯通,在巷旁形成垮落充填结构,采空侧垮落岩体抑制上覆岩层的弯曲下沉,减弱应力集中,压力变化幅度较小。研究成果在常兴煤业取得成功应用,监测结果显示在工作面后方70~80 m处,围岩变形趋于稳定,顶板没有明显离层、错位现象,巷旁垮落充填体结构稳定。

关键词：厚层软岩沿空留巷预制裂缝断顶卸压垮落充填

Generating Even-Photon State via Resonant Interaction Between Ladder-Type Three-Level Atoms with a Single-Mode Field

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Communications in Theoretical Physics 2008年第1期49卷 221-224页

作者： ZHONG Zhi-Rong SU Wan-jun Department of Electronic Science and Applied Physics Puzhou University Puzhou 350002 China

A scheme is presented to generate even-photon state based on resonant interaction between ladder-type three-level atoms with a single-mode field. In the scheme, a sequence of suitably prepared ladder-type three-level atoms are orderly sent through a single-mode cavity initiaJly in vacuum state. The detection of a J1 the atoms in the ground states collapses the cavity to the desired state. The scheme is based on the resonant interaction of atoms with the cavity, and thus the required interaction time can be greatly shortened. This is important in view of decoherence.

关键词： even photon state resonant interaction ladder-type atom

An Alternative Scheme for Transferring Quantum States and Preparing a Quantum Network in Cavity QED

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Communications in Theoretical Physics 2007年第6期47卷 1037-1040页

作者： YANG Zhen-Biao SU Wan-jun Department of Electronic Science and Applied Physics Fuzhou University Fuzhou 350002 China

An alternative scheme is proposed to transfer quantum states and prepare a quantum network in cavity QED. It is based on the interaction of a two-mode cavity field with a three-level V-type atom. In the scheme, the atom-cavity field interaction is resonant, thus the time required to complete the quantum state transfer process is greatly shortened, which is very important in view of decoherence. Moreover, the present scheme does not require one mode of the cavities to be initially prepared in one-photon state, thus it is more experimentally feasible than the previous ones.

关键词： quantum states transfer quantum network cavity QED

Bonding of the chain structure for novel boranes B_(3k+)H_(5k+p+3)^-

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Chinese Journal of Chemistry 1994年第4期12卷 289-294页

作者： ZHONG, Shi-jun WANG, Yin-Gui ZHANG, Qian-ErState Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Science, fuzhou, Fujian 350002, China.Department of Chemistry, and Institute of Physical Chemistry, Xiamen University, Xiamen, Fujian 361005, China

The molecular orbitals obtained from conventional quantum chemistry calculations, are expressed in terms of symmetrized valence bond functions of fragment, and a direct picture of chemical bonding can be drawn easily. This method is utilized, together with extended Huckel calculations, to interpret the bonding properties of a centipede-like chain structure for novel laser-producing boranes B3k+pH5k+p+3- which is constructed from the repeated unit B3H5 linked to each other by three B-H-B bonds.

关键词： Symmetrized valence bond function bridge bond novel boranes.