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Molecular Structure Tailoring of Organic Spacers for High‑Performance Ruddlesden–Popper Perovskite Solar Cells

Nano-Micro Letters 2025年第2期17卷 314-357页

作者： Pengyun Liu Xuejin Li Tonghui Cai Wei Xing Naitao Yang Hamidreza Arandiyan Zongping Shao Shaobin Wang Shaomin Liu school of Materials science and engineering State Key Laboratory of Heavy Oil ProcessingChina University of Petroleum(East China)Qingdao 266580People’s Republic of China school of Chemistry and Chemical engineering Shandong University of TechnologyZibo 255049People’s Republic of China Centre for Applied Materials and Industrial Chemistry(CAMIC) School of ScienceRMIT UniversityMelbourneVic 3000Australia WA school of Mines:Minerals Energy and Chemical Engineering(WASM‑MECE)Curtin UniversityPerthWA 6102Australia school of Chemical engineering The University of AdelaideAdelaideSA 5005Australia school of engineering Great Bay UniversityDongguan 523000People’s Republic of China

Layer-structured Ruddlesden–Popper(RP)perovskites(RPPs)with decent stability have captured the imagination of the photovoltaic research community and bring hope for boosting the development of perovskite solar cell(PSC)***,two-dimensional(2D)or quasi-2D RP PSCs are encountered with some challenges of the large exciton binding energy,blocked charge transport and poor film quality,which restrict their photovoltaic ***,these issues can be readily resolved by rationally designing spacer cations of *** review mainly focuses on how to design the molecular structures of organic spacers and aims to endow RPPs with outstanding photovoltaic *** firstly elucidated the important roles of organic spacers in impacting crystallization kinetics,charge transporting ability and stability of *** we brought three aspects to attention for designing organic ***,we presented the specific molecular structure design strategies for organic spacers of RPPs aiming to improve photovoltaic performance of RP *** proposed strategies in this review will provide new avenues to develop novel organic spacers for RPPs and advance the development of RPP photovoltaic technology for future applications.

关键词： Ruddlesden-Popper perovskites Low-dimensional perovskite solar cells Organic spacers Molecular structure Design strategies

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Preparation of Co/S co-doped carbon catalysts for excellent methylene blue degradation

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International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 169-181页

作者： Haixu Li Haobo He Tiannan Jiang Yunfei Du Zhichen Wu Liang Xu Xinjie Wang Xiaoguang Liu Wanhua Yu Wendong Xue school of Materials science and engineering University of Science and Technology BeijingBeijing 100083China Beijing Jinyu Tongda Refractory Technologies Co. Ltd.Beijing 100085China

S and Co co-doped carbon catalysts were prepared via pyrolysis of MOF-71 and thiourea mixtures at 800℃at a mass ratio of MOF-71 to thiourea of 1:0.1 to effectively activate peroxymonosulfate(PMS)for methylene blue(MB)*** effects of two different mixing routes were identified on the MB degradation ***,the catalyst obtained by the alcohol solvent evaporation(MOF-AEP)mixing route could degrade 95.60%MB(50 mg/L)within 4 min(degradation rate:K=0.78 min^(-1)),which was faster than that derived from the direct grinding method(MOF-DGP,80.97%,K=0.39 min^(-1)).X-ray photoelectron spectroscopy revealed that the Co-S content of MOF-AEP(43.39at%)was less than that of MOF-DGP(54.73at%),and the proportion of C-S-C in MOF-AEP(13.56at%)was higher than that of MOF-DGP(10.67at%).Density functional theory calculations revealed that the adsorption energy of Co for PMS was -2.94 eV when sulfur was doped as C-S-C on the carbon skeleton,which was higher than that when sulfur was doped next to cobalt in the form of Co-S bond(-2.86 eV).Thus,the C-S-C sites might provide more contributions to activate PMS compared with ***,the degradation parameters,including pH and MOF-AEP dosage,were ***,radical quenching experiments and electron paramagnetic resonance(EPR)measurements revealed that ^(1)O_(2)might be the primary catalytic species,whereas·O~(2-)might be the secondary one in degrading MB.

关键词： advanced oxidation process alcohol solvent evaporation hydrogen bond S and Co co-doped carbon catalysts wastewater remediation

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Synergistic effect of bonding heterogeneity and phonon localization in introducing excellent thermoelectric properties in layered heteroanionic NdZnSbO material

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Journal of Energy Chemistry 2025年第1期100卷 259-272页

作者： Da Wan Shuwei Tang Shulin Bai Xiaodong Li Peng Ai Wanrong Guo Tuo Zheng College of Materials science and engineering Liaoning Technical University Faculty of Chemistry Northeast Normal University

Layered rare-earth metal oxides, harnessing the dual properties of oxides and two-dimensional layered materials, exhibit remarkable thermal stability and quantum confinement effects. Therefore, this work adopts the first-principles calculation combined with the Boltzmann transport theory to predict the thermoelectric properties of NdZnSbO compound. The coexistence of weak interlayer van der Waals interactions, robust intralayer ionic bonding, and partial covalent bonding leads to remarkable bonding heterogeneity, which engenders pronounced phonon scattering and imposes constraints on thermal transport along the out-of-plane direction. The weakened chemical bonds induced by the antibonding states, together with the rattling-like behavior of the Zn atom, culminate in the profound anharmonicity in the layered NdZnSbO compound. The weakening bond and heavy element contribute to the softness of phonon modes, which significantly diminishes the phonon group velocity. The redistribution-dominated four-phonon scattering process spans a large optical gap, which effectively reduces the lattice thermal conductivity. The NdZnSbO compound exhibits direct semiconductor characteristic with a bandgap of 0.73 e V by adopting the Heyd-Scuseria-Ernzerhof(HSE06) functional in combination with spin–orbit coupling(SOC) effect. The multi-valley feature of NdZnSbO compound augur favorably for band degeneracy, thus amplifying the power factor. Consequently, an optimal figure-of-merit(ZT) of 3.40 at 900 K is achieved for the n-type NdZnSbO compound. The present study delves deeply insights into the origins for the low thermal conductivity of NdZnSbO compound and proposes an optimization scheme to enhance overall thermoelectric performance.

关键词： Bond strength (chemical)

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Ammonia pyrolysis oxidation excited by nanosecond pulsed discharge:Global/fluid models hybrid solution

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Journal of Energy Chemistry 2025年第1期100卷 385-396页

作者： Mingming Zhang Hanyu Wu Qi Chen Jiaxin Yang Bonan Liu school of Mechanical Electronic and Control Engineering Beijing Jiaotong University China University of Petroleum

The kinetic characteristics of plasma-assisted oxidative pyrolysis of ammonia are studied by using the global/fluid models hybrid solution ***,the stable products of plasma-assisted oxidative pyrolysis of ammonia are *** results show that the consumption of NH3/O2and the production of N2/H2change linearly with the increase of voltage,which indicates the decoupling of nonequilibrium molecular excitation and oxidative pyrolysis of ammonia at low ***,the detailed reaction kinetics mechanism of ammonia oxidative pyrolysis stimulated by a nanosecond pulse voltage at low pressure and room temperature is *** on the reaction path analysis,the simplified mechanism is *** detailed and simplified mechanism simulation results are compared with experimental data to verify the accuracy of the simplified ***,based on the simplified mechanism,the fluid model of ammonia oxidative pyrolysis stimulated by the nanosecond pulse plasma is established to study the pre-sheath/sheath behavior and the resultant consumption and formation of key *** results show that the generation,development,and propagation of the pre-sheath have a great influence on the formation and consumption of *** consumption of NH3by the cathode pre-sheath is greater than that by the anode pre-sheath,but the opposite is true for OH and O（1S）.However,within the sheath,almost all reactions do not ***,by changing the parameters of nanosecond pulse power supply voltage,it is found that the electron number density,electron current density,and applied peak voltages are not the direct reasons for the structural changes of the sheath and ***,the discharge interval has little effect on the sheath structure and gas mixture *** research results of this paper not only help to understand the kinetic promotion of non-equilibrium excitation in the process of oxidative pyrolysis but also help to explore th

关键词： Nanosecond pulsed discharge Ammonia Oxidative pyrolysis Fluid model Global model

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Regression analysis of squeezing-induced hybrid nanofluid flow in Darcy-Forchheimer porous medium

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Applied Mathematics and Mechanics(English Edition) 2025年第1期46卷 193-208页

作者： K.MUHAMMAD M.SARFRAZ Department of Humanities and sciences School of Electrical Engineering and Computer Science National University of Sciences and Technology Department of Mathematics Quaid-i-Azam University

This article presents a mathematical model addressing a scenario involving a hybrid nanofluid flow between two infinite parallel plates. One plate remains stationary, while the other moves downward at a squeezing velocity. The space between these plates contains a Darcy-Forchheimer porous medium. A mixture of water-based fluid with gold(Au) and silicon dioxide(Si O2) nanoparticles is formulated. In contrast to the conventional Fourier's heat flux equation, this study employs the Cattaneo-Christov heat flux equation. A uniform magnetic field is applied perpendicular to the flow direction, invoking magnetohydrodynamic(MHD) effects. Further, the model accounts for Joule heating, which is the heat generated when an electric current passes through the fluid. The problem is solved via NDSolve in MATHEMATICA. Numerical and statistical analyses are conducted to provide insights into the behavior of the nanomaterials between the parallel plates with respect to the flow, energy transport, and skin *** findings of this study have potential applications in enhancing cooling systems and optimizing thermal management strategies. It is observed that the squeezing motion generates additional pressure gradients within the fluid, which enhances the flow rate but reduces the frictional drag. Consequently, the fluid is pushed more vigorously between the plates, increasing the flow velocity. As the fluid experiences higher flow rates due to the increased squeezing effect, it spends less time in the region between the plates. The thermal relaxation, however, abruptly changes the temperature, leading to a decrease in the temperature fluctuations.

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Interfacial Zn2+-solvation regulator towards reversible and stable Zn anode

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Journal of Energy Chemistry 2025年第1期100卷 684-692页

作者： Miao Zhou Xiongbin Luo Hang Li Shan Guo Zhuang Tong Xiaotao Zhou Xu Li Zhaohui Hou Shuquan Liang Guozhao Fang College of Mechanical engineering Key Laboratory of Hunan Province for Advanced Carbon-based Functional Materials Hunan Institute of Science and Technology school of Materials science and engineering Key Laboratory of Electronic Packaging and Advanced Functional Materials of Hunan Province Central South University College of Materials and Metallurgy Guizhou University National Energy Metal Resources and New Materials Key Laboratory Central South University

Aqueous zinc-ion batteries （AZIBs） are fundamentally challenged by the instability of the electrode/electrolyte interface,predominantly due to irreversible zinc （Zn） deposition and hydrogen ***,the intricate mechanisms behind the electrochemical discrepancies induced by interfacial Zn2+-solvation and deposition behavior demand comprehensive *** molecules endowed with special functional groups （such as hydroxyl,carboxyl,etc.） have the potential to significantly optimize the solvation structure of Zn2+and regulate the interfacial electric double layer （EDL）.By increasing nucleation overpotential and decreasing interfacial free energy,these functional groups facilitate a lower critical nucleation radius,thereby forming an asymptotic nucleation model to promote uniform Zn ***,this study presents a pioneering approach by introducing trace amounts of n-butanol as solvation regulators to engineer the homogenized Zn （H-Zn） anode with a uniform and dense *** interfacial reaction and structure evolution are explored by in/ex-situ experimental techniques,indicating that the H-Zn anode exhibits dendrite-free growth,no by-products,and weak hydrogen evolution,in sharp contrast to the bare ***,the H-Zn anode achieves a remarkable Zn utilization rate of approximately 20% and simultaneously sustains a prolonged cycle life exceeding 500 ***,the H-Zn//NH4V4O10（NVO） full battery showcases exceptional cycle stability,retaining 95.04%capacity retention after 400 cycles at a large current density of 5 A *** study enlightens solvation-regulated additives to develop Zn anode with superior utilization efficiency and extended operational lifespan.

关键词： Aqueous zinc-ion batteries Interfacial reaction Asymptotic nucleation model Reversible and stable Zn anode

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Inspires effective alternatives to backpropagation:predictive coding helps understand and build learning

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Neural Regeneration Research 2025年第11期20卷 3215-3216页

作者： Zhenghua Xu Miao Yu Yuhang Song school of Health sciences and Biomedical engineering Hebei University of TechnologyTianjinChina Department of Computer science University of OxfordOxfordUK

Artificial neural networks are capable of machine learning by simulating the hiera rchical structure of the human *** enable learning by brain and machine,it is essential to accurately identify and correct the prediction errors,referred to as credit assignment(Lillicrap et al.,2020).It is critical to develop artificial intelligence by understanding how the brain deals with credit assignment in neuroscience.

关键词： assignment learning enable

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Role of iron ore in enhancing gasification of iron coke:Structural evolution,influence mechanism and kinetic analysis

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International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 58-69页

作者： Jie Wang Wei Wang Xuheng Chen Junfang Bao Qiuyue Hao Heng Zheng Runsheng Xu school of Chemistry and Materials science Hubei Engineering UniversityXiaogan 432000China Key Laboratory for Ferrous Metallurgy and Resources Utilization of Ministry of Education Wuhan University of Science and TechnologyWuhan 430081China Institue of Ironmaking Technology Baosteel Central Research InstituteShanghai 201999China State Key Laboratory of Advanced Metallurgy University of Science and Technology BeijingBeijing 100083China

The utilization of iron coke provides a green pathway for low-carbon *** uncover the influence mechanism of iron ore on the behavior and kinetics of iron coke gasification,the effect of iron ore on the microstructure of iron coke was ***,a comparative study of the gasification reactions between iron coke and coke was conducted through non-isothermal thermogravimetric *** findings indicate that compared to coke,iron coke exhibits an augmentation in micropores and specific surface area,and the micropores further extend and *** provides more adsorption sites for CO_(2) molecules during the gasification process,resulting in a reduction in the initial gasification temperature of iron *** the heating rate in non-isothermal gasification can enhance the reactivity of iron *** metallic iron reduced from iron ore is embedded in the carbon matrix,reducing the orderliness of the carbon structure,which is primarily responsible for the heightened reactivity of the carbon *** kinetic study indicates that the random pore model can effectively represent the gasification process of iron coke due to its rich pore ***,as the proportion of iron ore increases,the activation energy for the carbon gasification gradually decreases,from 246.2 kJ/mol for coke to 192.5 kJ/mol for iron coke 15wt%.

关键词： low-carbon ironmaking iron coke gasification structural evolution kinetic model

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Aligned Ion Conduction Pathway of Polyrotaxane‑Based Electrolyte with Dispersed Hydrophobic Chains for Solid‑State Lithium–Oxygen Batteries

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Nano-Micro Letters 2025年第2期17卷 169-186页

作者： Bitgaram Kim Myeong‑Chang Sung Gwang‑Hee Lee Byoungjoon Hwang Sojung Seo Ji‑Hun Seo Dong‑Wan Kim Department of Materials science and engineering Korea University145 Anam‑RoSeongbuk‑GuSeoul 02841Republic of Korea school of Civil Environmental and Architectural EngineeringKorea University145 Anam‑RoSeongbuk‑GuSeoul 02841Republic of Korea Materials science and Chemical engineering Center Institute for Advanced Engineering(IAE)Yongin 17180Republic of Korea

A critical challenge hindering the practical application of lithium–oxygen batteries(LOBs)is the inevitable problems associated with liquid electrolytes,such as evaporation and safety *** study addresses these problems by proposing a modified polyrotaxane(mPR)-based solid polymer electrolyte(SPE)design that simultaneously mitigates solvent-related problems and improves ***-SPE exhibits high ion conductivity(2.8×10^(−3)S cm^(−1)at 25℃)through aligned ion conduction pathways and provides electrode protection ability through hydrophobic chain *** this mPR-SPE into solid-state LOBs resulted in stable potentials over 300 *** situ Raman spectroscopy reveals the presence of an LiO_(2)intermediate alongside Li_(2)O_(2)during oxygen *** situ X-ray diffraction confirm the ability of the SPE to hinder the permeation of oxygen and moisture,as demonstrated by the air permeability *** present study suggests that maintaining a low residual solvent while achieving high ionic conductivity is crucial for restricting the sub-reactions of solid-state LOBs.

关键词： Solid polymer electrolyte Lithium-oxygen batteries Polyrotaxane ion conductivity Hydrophobic chain

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Surface embedded binary Co-Cu hydroxy phosphate over surface of oxy/hydroxides for efficient nitrate reduction to ammonia

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Nano Research 2025年第1期18卷 195-207页

作者： Chun Zhu Yifei Yang Yike Jing Zhen Zeng Xuesong Yi Wei Sun Fei Yang Key Laboratory of Agro-Forestry Environmental Processes and Ecological Regulation of Hainan Province School of Environmental Science and EngineeringHainan UniversityHaikou 570228China

Electrochemical nitrate reduction reaction(NO3RR)to ammonia is a promising approach to address excess Ncontamination in aqueous environment but suffers from a limited ammonia yield and selectivity due to the low concentration and sluggish *** work reports a three-dimensional porous electrode with binary Co_(2)Cu_(1)hydroxy phosphate embedded into the surface of Ni_(3)Co_(1)oxy/hydroxides(CoCu-PH@NiCo/Ni,“PH”means phosphate-hydroxide),which delivers a yield of 4.13 mg·h^(-1)·cm^(-2)with a high Faraday efficiency of 92.6%under a low nitrate concentration of 40 mM and provide an impressive *** embedded structure of the as-prepared catalyst exhibits unique metal coordination ligands and valence states different from the unitary *** electrochemical in situ infrared spectra and theoretical calculations revealed that the Co sites with the ability to dissociate water molecular to form adsorbed OH*can effectively provide the required protons for the deoxygenation and hydrogenation steps during NO3-conversion,thereby,effectively reducing the energy barrier of the key transition states in the NO3RR process to improve the intrinsic *** demonstrate that the rational design of binary components with the appropriate ability to activate water molecules as well as the threedimensional porous skeletal structure are expected to promote effectively the low-concentration nitrates conversion to ammonia.

关键词： nitrate reduction hydroxy phosphate surface embedded water dissociation active hydroxy adsorbed

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