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A surface engineering strategy for the stabilization of zinc metal anodes with montmorillonite layers toward long-life rechargeable aqueous zinc ion batteries

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Journal of Energy Chemistry 2025年第1期100卷 94-105页

作者： Wenbo Wang Ruifeng Xu Xu Zhang Peiyu Wang Bao Yang Bingjun Yang Juan Yang Kailimai Su Pengjun Ma Yanan Deng Xianfeng Fan Wanjun Chen Key Laboratory for Electronic Materials College of Electrical Engineering Northwest Minzu University Resource Chemistry and Energy Materials Research Center State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical Physics Chinese Academy of Sciences University of Chinese Academy of Sciences institute for Materials and Processes School of Engineering University of Edinburgh

Rechargeable aqueous zinc-ion batteries （AZIBs） exhibit appreciable potential in the domain of electrochemical energy ***,there are serious challenges for AZIBs,for instance zinc dendrite growth,hydrogen evolution reaction （HER）,and corrosion side ***,we propose a surface engineering modification strategy for coating the montmorillonite （MMT） layer onto the surface of the Zn anode to tackle these issues,thereby achieving high cycling stability for rechargeable *** results reveal that the MMT layer on the surface of the Zn anode is able to provide ordered zincophilic channels for zinc ions migration,facilitating the reaction kinetics of zinc *** functional theory（DFT） calculations and water contact angle （CA） tests prove that MMT@Zn anode exhibits superior adsorption capacity for Zn2+and better hydrophobicity than the bare Zn anode,thereby achieving excellent cycling ***,the MMT@Zn||MMT@Zn symmetric cell holds the stable cycling over 5600 h at 0.5 mA cm-2and 0.125 m A h cm-2,even exceeding 1800 h long cycling under harsh conditions of 5 m A cm-2and 1.25 m A h *** MMT@Zn||V2O5full cell reaches over 3000 cycles at 2 A g-1with excellent rate ***,this surface engineering modification strategy for enhancing the electrochemical performance of AZIBs represents a promising application.

关键词： Hydrogen evolution reaction

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Applications of in-situ solid-state nuclear magnetic resonance in methanol to olefins reaction

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Science China Chemistry 2025年第1期68卷 134-151页

作者： Jing Niu Shutao Xu Yingxu Wei Zhongmin Liu National Engineering Research Center of Lower-Carbon Catalysis Technology Dalian Institute of Chemical PhysicsChinese Academy of Sciences state Key Laboratory of Catalysis Dalian Institute of Chemical Physics Chinese Academy of Sciences University of Chinese Academy of Sciences

The methanol-to-olefins（MTO） reaction offers an alternative pathway for the production of low-carbon olefins from non-oil feedstocks. Fundamental research has been impeded by a lack of comprehensive understanding of its underlying mechanism,despite the significant progress made in industry. In-situ solid-state nuclear magnetic resonance（ss NMR） spectroscopy has emerged as a pivotal tool, offering crucial insights into key species under real-time operando conditions. Furthermore, the host–guest interaction between zeolites or surface species residing on zeolites and the reactant/active intermediates is revealed by the combination of in-situ13C MAS NMR and 2D correlation spectroscopy. Moreover, recent technological advancements in hyperpolarization（HP） methods, including HP129Xe NMR and dynamic nuclear polarization（DNP）, have significantly improved the sensitivity of ss NMR, enabling detailed structural and kinetic analysis as well as the detection of trace species. In this feature article, we summarized recent advancements in（in-situ） ss NMR spectroscopy applied to MTO reaction processes,encompassing mechanistic investigations at various stages and the intricate host–guest interactions. These theoretical insights into the dynamic evolution of MTO reactions lay a solid foundation for the optimization of catalytic processes and the development of efficient catalysts, thereby advancing the techniques towards more sustainable and economical production route for olefins.

关键词： MTO zeolites in-situ ssNMR reactive intermediates reaction mechanism

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Wafer‑Scale Ag_(2)S‑Based Memristive Crossbar Arrays with Ultra‑Low Switching‑Energies Reaching Biological Synapses

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Nano-Micro Letters 2025年第3期17卷 328-339页

作者： Yuan Zhu Tomas Nyberg Leif Nyholm Daniel Primetzhofer Xun Shi Zhen Zhang Division of solid‑state Electronics Department of Electrical EngineeringUppsala University75121 UppsalaSweden Department of Chemistry Uppsala UniversityUppsalaSweden Department of physics and Astronomy Uppsala UniversityUppsalaSweden state Key Laboratory of High Performance Ceramics and Superfine Microstructure Shanghai Institute of CeramicsChinese Academy of SciencesShanghai 200050People’s Republic of China

Memristive crossbar arrays(MCAs)offer parallel data storage and processing for energy-efficient neuromorphic ***,most wafer-scale MCAs that are compatible with complementary metal-oxide-semiconductor(CMOS)technology still suffer from substantially larger energy consumption than biological synapses,due to the slow kinetics of forming conductive paths inside the memristive *** we report wafer-scale Ag_(2)S-based MCAs realized using CMOS-compatible processes at temperatures below 160℃.Ag_(2)S electrolytes supply highly mobile Ag+ions,and provide the Ag/Ag_(2)S interface with low silver nucleation barrier to form silver filaments at low energy *** further enhancing Ag+migration in Ag_(2)S electrolytes via microstructure modulation,the integrated memristors exhibit a record low threshold of approximately−0.1 V,and demonstrate ultra-low switching-energies reaching femtojoule values as observed in biological *** low-temperature process also enables MCA integration on polyimide substrates for applications in flexible ***,the intrinsic nonidealities of the memristive units for deep learning can be compensated by employing an advanced training *** impressive accuracy of 92.6%in image recognition simulations is demonstrated with the MCAs after the *** demonstrated MCAs provide a promising device option for neuromorphic computing with ultra-high energy-efficiency.

关键词： Wafer-scale Ag_(2)S films Reactive sputter Silver nucleation Ag^(+)migration Energy-efficient neuromorphic computing

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Bifunctional bridging capping layer enables 24.5% efficiency of perovskite solar cells with polymer-based hole transport materials

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Science China Chemistry 2025年第1期68卷 350-359页

作者： Can Zhu Yiyang Wang Lei Meng Beibei Qiu Jing Li Shucheng Qin Ke Hu Xin Jiang Wenbin Lai Minchao Liu Zhe Liu Chenxing Lu Jinyuan Zhang Yongfang Li Beijing National Laboratory for Molecular Sciences CAS Key Laboratory of Organic Solids Institute of Chemistry Chinese Academy of Sciences School of Chemical Science University of Chinese Academy of Sciences Key Laboratory of solid state Optoelectronic Devices of Zhejiang Province College of Physics and Electronic Information Engineering Zhejiang Normal University Key Laboratory of Photochemical Conversion and Optoelectronic Materials Technical Institute of Physics and ChemistryChinese Academy of Sciences Laboratory of Advanced Optoelectronic Materials College of Chemistry Chemical Engineering and Materials ScienceSoochow University

Developing a bridge capping layer between perovskite and hole transport layer materials（HTMs） in the n-i-p perovskite solar cells（pero-SCs） is an effective approach to modify the morphology of HTMs and passivate the perovskite ***, we select the quinoxaline-based bifunctional passivation agent, quinoxalin-6-yl-methylamine hydrochloride（Qx MACl）,as the bridging layer, and a D-A copolymer PBQ12 containing the same quinoxaline unit as an HTM for the n-i-p pero-SCs. Due to the π-π stacking among the common quinoxaline units in the bridge layer and HTM, Qx MACl induces the π-π stacking of the PBQ12 film and improves the film morphology of HTMs with better conductivity. Additionally, Qx MACl can effectively passivate the perovskite surface, and PBQ12 possesses appropriate energy levels and high hole mobility. The pero-SCs based on FAPbI3with PBQ12/Qx MACl treatment showed a higher power conversion efficiency（PCE） of 24.05% and outstanding stability, maintaining 95.4% and 92.1% of its initial PCE after 750 h of storage and after over 800 h of thermal annealing at 85 °C, respectively. To further enhance the PCE of the PBQ12/Qx MACl-based devices, we developed a non-metal ion dopant for the PBQ12 HTM. Through trace doping of PBQ12 HTM by the non-metal ion dopant, the PCE of the PBQ12/Qx MACl-based devices reached 25.24%（the calibrated PCE of 24.55% by the National institute of Metrology, China）.

关键词： D-A copolymer, hole transport materials, bifunctional bridge capping layer, passivation perovskite solar cells

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Simulation of water potential for the electronic structure of serine

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Chinese physics B 2009年第5期18卷 1968-1978页

作者：王兴荣郑浩平 pohl institute of solid state physics Tongji University

First-principles, all-electron, ab initio calculations have been performed to construct an equivalent water potential for the electronic structure of serine （Ser） in solution. The calculation is composed of three steps. The first step is to search for the configuration of the Ser _ nH2O system with a minimum energy. The second step is to calculate the electronic structure of Ser with the water molecule potential via the self-consistent cluster-embedding method （SCCE）, based on the result obtained in the first step. The last step is to calculate the electronic structure of Set with the dipole potential after replacing the water molecules with dipoles. The results show that the occupied states of Ser are raised by about 0.017 Ry on average due to the effect of water. The water effect can be successfully simulated by using the dipole potential. The obtained equivalent potential can be applied directly to the electronic structure calculation of protein in solution by using the SCCE method.

关键词： serine electronic structure water self-consistent cluster-embedding calculation

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Effective permittivity and permeability of one-dimensional dielectric photonic crystal within a band gap

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Chinese physics B 2008年第7期17卷 2544-2552页

作者：郭继勇陈鸿李宏强张冶文 pohl institute of solid state physics Tongji University

We take a finite dielectric photonic crystal as a homogeneous slab and have extracted the effective parameters. Our systematic study shows that the effective permittivity or permeability of dielectric photonic crystal is negative within a band gap region. This means that the band gap might act as ε-negative materials （ENMs） with ε 〈 0 and μ 〉 0, or μ-negative materials （MNMs） with ε 〉 0 and μ 〈 0. Moreover the effective parameters sensitively rely on size, surface termination, symmetry, etc. The effective parameters can be used to design full transmission tunnelling modes and amplify evanescent wave. Several cases are studied and the results show that dielectric photonic band gap can indeed mimic a single negative material （ENM or MNM） under some restrictions.

关键词： photonic crystal negative permittivity negative permeability

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Unveiling the promotion role of ZnO on Zn-Al spinel oxide for CO2 hydrogenation

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Journal of Energy Chemistry 2025年第1期100卷 18-25页

作者： Tongyao Wang Xinlong Yao Lixin Liang Hongyu Chen Pan Gao Guangjin Hou state Key Laboratory of Catalysis Dalian National Laboratory for Clean Energy Dalian Institute of Chemical Physics Chinese Academy of Sciences University of Chinese Academy of Sciences

The Zn-Al spinel oxide stands out as one of the most active catalysts for high-temperature methanol synthesis from CO2hydrogenation. However, the structure–activity relationship of the reaction remains poorly understood due to challenges in atomic-level structural characterizations and analysis of reaction intermediates. In this study, we prepared two Zn-Al spinel oxide catalysts via coprecipitation（ZnAl-C）and hydrothermal（ZnAl-H） methods, and conducted a comparative investigation in the CO2hydrogenation reaction. Surprisingly, under similar conditions, ZnAl-C exhibited significantly higher selectivity towards methanol and DME compared to ZnAl-H. Comprehensive characterizations using X-ray diffraction（XRD）, Raman spectroscopy and electron paramagnetic resonance（EPR） unveiled that ZnAl-C catalyst had abundant ZnO species on its surface, and the interaction between the ZnO species and its ZnAl spinel oxide matrix led to the formation of oxygen vacancies, which are crucial for CO2adsorption and activation. Additionally, state-of-the-art solid-state nuclear magnetic resonance（NMR） techniques,including ex-situ and in-situ NMR analyses, confirmed that the surface ZnO facilitates the formation of unique highly reactive interfacial formate species, which was readily hydrogenated to methanol and DME. These insights elucidate the promotion effects of ZnO on the ZnAl spinel oxide in regulating active sites and reactive intermediates for CO2-to-methanol hydrogenation reaction, which is further evidenced by the significant enhancement in methanol and DME selectivity observed upon loading ZnO onto the ZnAl-H catalyst. These molecular-level mechanism understandings reinforce the idea of optimizing the ZnO-ZnAl interface through tailored synthesis methods to achieve activity-selectivity balance.

关键词： Reaction intermediates

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Design and Analysis of Microstrip Multi-Channeled Filter Using Photonic Crystal Branchy Defect

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Journal of Rare Earths 2006年第Z1期24卷 136-139页

作者： Li Yunhui Jiang Haitao He Li Li Hongqiang Zhang Yewen Chen Hong pohl institute of solid state physics Tongji University Shanghai 200092 China Pohl Institute of Solid State Physics Tongji University Shanghai 200092 China Pohl Institute of Solid State Physics Tongji University Shanghai 200092 China Pohl Institute of Solid State Physics Tongji University Shanghai 200092 China Pohl Institute of Solid State Physics Tongji University Shanghai 200092 China Pohl Institute of Solid State Physics Tongji University Shanghai 200092 China

A multi-channeled filter based on branchy defect in a microstrip photonic crystal was proposed. By introducing a branchy structure across the defect region, multiple defect modes will appear inside the photonic gap, leading to the multi-channeled filtering phenomenon. In comparison with the conventional multi-channeled filters, the proposed structure is more compact and tunable as far as the device volume and fabrication are concerned. The microwave experiment results are found in agreement with simulation results.

关键词： photonic crystals defect mode multi-channeled filter

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The storage and its stability of space charge in poly(ethylene naphthalene-2,6-dicarboxylate)

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Science China(Technological Sciences) 2006年第5期49卷 621-628页

作者： QIU Xunlin XIA Zhongfu WANG Feipeng pohl institute of solid-state physics Tongji University Shanghai 200092 China Pohl Institute of Solid-State Physics Tongji University Shanghai 200092 China Pohl Institute of Solid-State Physics Tongji University Shanghai 200092 China

Poly(ethylene naphthalene-2,6-dicarboxylate) (PEN) is an aromatic polyester with molecular structure similar to that of poly(ethylene terephthalate)(PET). In this paper, the space charge storage ability and its stability in corona charged PEN were studied by measurement of surface potential decay under different storage conditions including dif- ferent temperatures and relative humidities, and analysis of open circuit thermally stimu- lated discharge (TSD) current spectra and charge TSD curves. The comparison between the charge stability of PEN and PET was carried out. The results point out that the charge stability of PEN is markedly better than that of PET under different environmental condi- tions. By means of isothermal depolarization program, the space charge lifetimes (effec- tive time constant) τ at room temperature of positively and negatively charged PEN are estimated to be 90 y. The results offer theoretical and technical support for the use of PEN as the chip of high quality electret condenser microphone due to its excellent dielectric, mechanical and thermal properties.

关键词： poly(ethylene naphthalene-2, 6-dicarboxylate), electret, charge stability, effective time constant.

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Anisotropic Effects on Magnetoelastic Transition in Magnetic Molecular Rings

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Chinese physics Letters 2006年第3期23卷 712-715页

作者：李鹏飞陈宇光陈鸿 pohl institute of solid state physics Tongji University Shanghai 200092

We numerically study the anisotropic effects on the magnetoelastic transition in an S = 1/2 XXZ model with a finite lattice number. It is found that the order of the magnetoelastic transition is strongly affected by the anisotropy parameter λ and there may exist a critical λe dividing the first-order transition and the continuous transition.

关键词： SPIN-SPIN INTERACTIONS GROUND-state ENERGY 1-DIMENSIONAL CHAIN HEISENBERG CHAIN QUANTUM VORTICES LATTICE

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