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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： Cell engineering

Hydrogen Energy Storage System:Review on Recent Progress

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Energy Engineering 2025年第1期122卷 1-39页

作者： MilleniumWong Hadi Nabipour Afrouzi Research centre for Sustainable Technologies Faculty of EngineeringComputing and ScienceSwinburne University of TechnologyJalan Simpang TigaKuchingSarawak93350Malaysia College of Engineering Faculty of ComputingEngineering and the Built EnvironmentBirmingham City UniversityBirminghamWest MidlandsEnglandB47XGUK

A hydrogen energy storage system(HESS)is one of the many risingmodern green innovations,using excess energy to generate hydrogen and storing it for various *** that,there have been many discussions about commercializing HESS and improving it ***,the design and sizing process can be overwhelming to comprehend with various sources to examine,and understanding optimal design methodologies is crucial to optimize a HESS *** that,this review aims to collect and analyse a wide range of HESS studies to summarise recent *** different collections of studies are studied,one was sourced by the main author for preliminary readings,and another was obtained via *** findings from the Web of Science platform were also examined for amore comprehensive *** findings include the People’sRepublic of China has been active in HESS research,as most works and active organizations originate from this *** has been mainly researched to support power generation and balance load demands,with financial analysis being the common scope of *** is a common tool used for HESS design,modelling,and optimization as it can handle complex *** neural network(ANN)has the potential to be used to model the HESS,but additional review is required as a formof future *** a commercialization perspective,pressurized hydrogen tanks are ideal for hydrogen storage in a HESS,but other methods can be considered after additional research and *** this review,it can be implied that modelling works will be the way forward for HESS research,but extensive collaborations and additional review are ***,this review summarized various takeaways that future research works on HESS can use.

关键词： Hydrogen energy storage system VOSViewer design review sizing

NHC-mediated photocatalytic para-selective C–H acylation of aryl alcohols: regioselectivity control via remote radical spiro cyclization

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Science China Chemistry 2025年

作者： Tinglei Zhang Lala Wang Xiaolin Peng Tianhui Liao Dongmei Chen Ting Tu Donghan Liu Ziye Cheng Shiqing Huang Shi-Chao Ren Xinglong Zhang Yonggui Robin Chi State Key Laboratory of Green Pesticide Key Laboratory of Green Pesticide and Agricultural Bioengineering Ministry of Education Guizhou University Qiannan Medical College for Nationalities School of Chemistry Chemical Engineering and Biotechnology Nanyang Technological University Department of Chemistry The Chinese University of Hong Kong Institute of high performance computing Agency for Science Technology and Research

Friedel-Crafts reaction and transition-metal catalysis represent primary methodologies for arene acylation; however, suffer from certain limitations, such as electronic effect-dependent reactivity, regioselectivity issues, the necessity of directing group, and relatively exceptionally limited exploration in meta-and para-acylations. N-heterocyclic carbene(NHC) catalysis has recently emerged as a promising alternative strategy for arene acylation, offering distinct regioselectivity profiles that are challenging to achieve through known methods. Herein, an NHC-mediated photo-catalytic para-selective C–H acylation of aryl alcohols is disclosed. The reaction employs a remote radical-induced temporary spiro cyclization strategy, proceeding via tandem radical dearomatization, radical acylation, rearomatization processes. Combined experimental and computational mechanistic studies support the proposed reaction pathway and observe an exclusive para-selectivity regardless of the nature of the substituents on the substrates. Despite the less satisfactory yields, the current method exhibits non-electronic nature-based reactivity and regioselectivity, enabling quick access to acylated arenes that are difficult or impossible for reported methods.

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A 3D multi-field element for simulating the electromechanical coupling behavior of dielectric elastomers

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Acta Mechanica Solida Sinica 2017年第4期30卷 374-389页

作者： Jun Liu Choon Chiang Foo Zhi-Qian Zhang Institute of high performance computing A*STAR

We propose a multi-field implicit finite element method for analyzing the electromechanical behavior of dielectric elastomers. This method is based on a four-field variational principle, which includes displacement and electric potential for the electromechanical coupling analysis, and additional independent fields to address the incompressible constraint of the hyperelastic material. Linearization of the variational form and finite element discretization are adopted for the numerical implementation. A general FEM program framework is devel- oped using C＋＋ based on the open-source finite element library *** to implement this proposed algorithm. Numerical examples demonstrate the accuracy, convergence properties, mesh-independence properties, and scalability of this method. We also use the method for eigenvalue analysis of a dielectric elastomer actuator subject to electromechanical loadings. Our finite element implementation is available as an online supplementary material.

关键词： Dielectric elastomer Electromechanical coupling Implicit multi-field finite element method Eigenvalue problem

Modulating the thermal conductivity of silicon nanowires via surface amorphization

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Science China(Technological Sciences) 2014年第4期57卷 699-705页

作者： LIU XiangJun ZHANG Gang PEI QingXiang ZHANG YongWei Institute of high performance computing

We perform non-equilibrium molecular dynamics calculations to study the heat transport in crystalline-core amorphous-shell silicon nanowires(SiNWs).It is found that the thermal conductivity of the core-shell SiNWs is closely related to the cross-sectional area ratio of amorphous *** shell amorphization,an 80%reduction in thermal conductivity compared to crystalline SiNWs with the same size can be achieved,due to the non-propagating heat diffusion in the amorphous *** contrast to the strong temperature-dependent thermal conductivity of crystalline SiNWs,the core-shell SiNWs only show weak temperature *** addition,an empirical relation is proposed to accurately predict the thermal conductivity of the core-shell SiNWs based on the rule of *** present work demonstrates that SiNWs with an amorphized shell are promising candidates for thermoelectric applications.

关键词： thermal conductivity thermoelectric molecular dynamics silicon nanowire

Thermal properties of two-dimensional materials

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Chinese Physics B 2017年第3期26卷 59-70页

作者：张刚张永伟 Institute of high performance computing A*STAR Singapore

Two-dimensional （2D） materials, such as graphene, phosphorene, and transition metal dichalcogenides （e.g., MoS2 and WS2）, have attracted a great deal of attention recently due to their extraordinary structural, mechanical, and physical properties. In particular, 2D materials have shown great potential for thermal management and thermoelectric energy generation. In this article, we review the recent advances in the study of thermal properties of 2D materials. We first review some important aspects in thermal conductivity of graphene and discuss the possibility to enhance the ultra-high thermal conductivity of graphene. Next, we discuss thermal conductivity of MoS2 and the new strategy for thermal management of MoS2 device. Subsequently, we discuss the anisotropic thermal properties of phosphorene. Finally, we review the application of 2D materials in thermal devices, including thermal rectifier and thermal modulator.

关键词： thermal conduction two-dimensional materials

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

General theories and features of interfacial thermal transport

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Chinese Physics B 2018年第3期27卷 1-11页

作者： Hangbo Zhou Gang Zhang Institute of high performance computing A＇STAR Singapore 138632 Singapor

A clear understanding and proper control of interfacial thermal transport is important in nanoscale devices. In this review, we first discuss the theoretical methods to handle the interfacial thermal transport problem, such as the macroscopic model, molecular dynamics, lattice dynamics, and quantum transport theories. Then we discuss various effects that can significantly affect the interfacial thermal transport, such as the formation of chemical bonds at interface, defects, interface roughness, strain, substrates, atomic species, mass ratios, and structural orientations. Then importantly, we analyze the role of inelastic scattering at the interface, and discuss its application in thermal rectifications. Finally, the challenges and promising directions are discussed.

关键词： thermal conductance interfacial thermal conductance nanomaterials

MoS2-graphene in-plane contact for high interfacial thermal conduction

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Nano Research 2017年第9期10卷 2944-2953页

作者： Xiangjun Liu Junfeng Gao Gang Zhang Yong-Wei Zhang Institute of high performance computing A＊STAR Singapore 138632 Singapore

Recent studies have indicated that two-dimensional (2D) MoS2 exhibits low in-plane and inter-plane thermal conductivities. This poses a significant challenge to heat management in MoS2-based electronic devices. To address this challenge, we have designed MoS2-graphene interfaces that fully utilize graphene, a 2D material that exhibits very high thermal conductivity. First, we performed ab initio atomistic simulations to understand bonding and structural stability at the interfaces. The interfaces that we designed, which were connected via strong covalent bonds between Mo and C atoms, were energetically stable. We then performed molecular dynamics simulations to investigate interfacial thermal conductance in these materials. Surprisingly, the interfacial thermal conductance was high and comparable to those of covalently bonded graphene-metal interfaces. Importantly, each interfacial Mo–C bond served as an independent thermal channel, enabling modulation of the interfacial thermal conductance by controlling the Mo vacancy concentration at the interface. The present work provides a viable heat management strategy for MoS2-based electronic devices.

关键词： MoS_2 graphene interfacial thermal conductance thermal management

Thermal properties of transition-metal dichalcogenide

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Chinese Physics B 2018年第3期27卷 12-19页

作者： Xiangjun Liu Yong-Wei Zhang Institute of high performance computing A＊ STAR Singapore 138632 Singapor

Beyond graphene, the layered transition metal dichalcogenides （TMDs） have gained considerable attention due to their unique properties. Herein, we review the lattice dynamic and thermal properties of monolayer TMDs, including their phonon dispersion, relaxation time, mean free path （MFP）, and thermal conductivities. In particular, the experimental and theoretical studies reveal that the TMDs have relatively low thermal conductivities due to the short phonon group velocity and MFP, which poses a significant challenge for efficient thermal management of TMDs-based devices. Importantly, recent studies have shown that this issue could be largely addressed by connecting TMDs and other materials （such as metal electrode and graphene） with chemical bonds, and a relatively high interracial thermal conductance （ITC） could be achieved at the covalent bonded interface. The ITC of MoS2/Au interface with chemical edge contact is more than 10 times higher than that with physical side contact. In this article, we review recent advances in the study of TMD-related ITC. The effects of temperature, interfacial vacancy, contact orientation, and phonon modes on the edge-contacted interface are briefly discussed.

关键词： transition metal dichalcogenide MoS2 thermal conductivity interracial thermal conductance