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Balancing electron transfer and intermediate adsorption ability of metallic Ni-Fe-RE-P bifunctional catalysts via 4f-2p-3d electron interaction for enhanced water splitting

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Journal of Energy Chemistry 2024年第7期94卷 458-465页

作者： Hong-Rui Zhao Cheng-Zong Yuan Chenliang Zhou Wenkai Zhao Lunliang Zhang Cong-Hui Li Lei Xin Fuling Wu Shufeng Ye Xiaomeng Zhang Yunfa Chen School of Rare Earths University of Science and Technology of ChinaHefei 230026AnhuiChina Jiangxi Province research Institute of Rare Earths Ganjiang Innovation AcademyChinese Academy of SciencesGanzhou 341119JiangxiChina State Key Laboratory of Multiphase complex systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China

Balancing electron transfer and intermediate adsorption ability of bifunctional catalysts via tailoring electronic structures is crucial for green hydrogen production,while it still remains challenging due to lacking efficient ***,one efficient and universal strategy is developed to greatly regulate electronic structures of the metallic Ni-Fe-P catalysts via in-situ introducing the rare earth(RE)atoms(Ni-Fe-RE-P,RE=La,Ce,Pr,and Nd).Accordingly,the as-prepared optimal Ni-Fe-Ce-P/CC self-supported bifunctional electrodes exhibited superior electrocatalytic activity and excellent stability with the low overpotentials of 247 and 331 mV at 100 mA cm^(-2) for HER and OER,*** the assembled electrolyzer,the Ni-Fe-Ce-P/CC as bifunctional electrodes displayed low operation potential of 1.49 V to achieve a current density of 10 mA cm^(-2),and the catalytic performance can be maintained for 100 *** results combined with density functional theory(DFT)calculation reveal that Ce doping leads to electron decentralization and crystal structure distortion,which can tailor the band structures and d-band center of Ni-Fe-P,further increasing conductivity and optimizing intermediate adsorption *** work not only proposes a valuable strategy to regulate the electron transfer and intermediate adsorption of electrocatalysts via RE atoms doping,but also provides a deep under-standing of regulation mechanism of metallic electrocatalysts for enhanced water splitting.

关键词： RE atoms Electron transfer Adsorption energy Oxygen evolution Hydrogen evolution

A Novel Predictive Model for Edge Computing Resource Scheduling Based on Deep Neural Network

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Computer Modeling in Engineering & sciences 2024年第4期139卷 259-277页

作者： Ming Gao Weiwei Cai Yizhang Jiang Wenjun Hu Jian Yao Pengjiang Qian School of Artificial Intelligence and Computer science Jiangnan UniversityWuxi214122China The center for Intelligent systems and Applications research School of Artificial Intelligence and Computer ScienceJiangnan UniversityWuxi214122China School of Information Engineering Huzhou UniversityHuzhou313000China

Currently,applications accessing remote computing resources through cloud data centers is the main mode of operation,but this mode of operation greatly increases communication latency and reduces overall quality of service(QoS)and quality of experience(QoE).Edge computing technology extends cloud service functionality to the edge of the mobile network,closer to the task execution end,and can effectivelymitigate the communication latency ***,the massive and heterogeneous nature of servers in edge computing systems brings new challenges to task scheduling and resource management,and the booming development of artificial neural networks provides us withmore powerfulmethods to alleviate this ***,in this paper,we proposed a time series forecasting model incorporating Conv1D,LSTM and GRU for edge computing device resource scheduling,trained and tested the forecasting model using a small self-built dataset,and achieved competitive experimental results.

关键词： Edge computing resource scheduling predictive models

Experimental and numerical study of hypervelocity impact damage on composite overwrapped pressure vessels

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Defence Technology（防务技术） 2024年第1期31卷 58-72页

作者： Yong-Pan Duan Run-Qiang Chi Bao-Jun Pang Yuan Cai Hypervelocity Impact research center Harbin Institute of TechnologyHarbin150080China College of science Heilongjiang University of Science and TechnologyHarbin 150022China

Ground-based tests are important for studying hypervelocity impact(HVI)damage to spacecraft pressure vessels in the orbital debris *** analyzed the damage to composite overwrapped pressure vessels(COPVs)in the HVI tests and classified the damage into non-catastrophic damage and catastrophic *** proposed a numerical simulation method to further study non-catastrophic damage and revealed the characteristics and mechanisms of non-catastrophic damage affected by impact conditions and internal *** fragments of the catastrophically damaged COPVs were collected after the *** crack distribution and propagation process of the catastrophic ruptures of the COPVs were *** findings contribute to understanding the damage characteristics and mechanisms of COPVs by HVIs.

关键词： Orbital debris Hypervelocity impact Composite overwrapped pressure vessels Damage mechanisms

Two-dimensional semiconductor heterostructures for photocatalytic CO_(2)conversion

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science China Chemistry 2024年第8期67卷 2434-2447页

作者： Yang Wu Mingyu Wu Yongfu Sun Yi Xie Hefei National research center for Physical sciences at Microscale University of Science and Technology of ChinaHefei 230026China

The CO_(2)reduction into carbon-contained fuel via solar energy offers the powerful tools to realize the zero-emission carbon *** to the intriguing features of the two-dimensional(2D)heterostructures,it is susceptible to modulate the electronic structure as well as the surface geometry for optimizing the photocatalytic CO_(2)*** this perspective,we surveyed the fundamental insights of 2D semiconductor heterostructures,involving the fabrication strategies and classification of the 2D semiconductor ***,we have detailly discussed the overview of 2D semiconductor heterostructure for optimizing CO_(2)photocatalytic influenced factors,including the solar energy utilization,photogenerated carriers separation,and redox reaction ***,we showed the significant advantages of 2D heterostructures in elevating CO_(2)photoreduction performance,focusing on activity,selectivity and *** analyzing the limitations and developments,we ended by putting forward insights into the further researches about the CO_(2)photocatalysts and reactor design,even industrial applications.

关键词： two-dimensional semiconductor heterostructures photocatalysis CO_(2)conversion

B-COPNA resin formation from ethylene tar light fractions:Process development and mechanical exploration by molecular simulation

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Chinese Journal of Chemical Engineering 2024年第6期70卷 118-129页

作者： Hongyan Shen Lingrui Cui Xingguo Wei Yuanqin Zhang Lian Cen Jun Xu Fahai Cao Engineering research center of Large Scale Reactor East China University of Science and TechnologyShanghai 200237China

An efficient utilization strategy of ethylene tar(ET),the main by-product of the ethylene cracking unit,is urgently required to meet demands for modern petrochemical *** the other hand,condensed polynuclear aromatic resin of moderate condensation degree(B-COPNA)is a widely used carbon material due to its superb processability,the production of which is,however,seriously limited by the high cost of raw *** such context,an interesting strategy was proposed in this study for producing B-COPNA resin using crosslinked light fractions of ethylene tar(ETLF,boiling point<260℃)facilitated by molecular simulation.1,4-Benzenedimethanol(PXG)was first selected as the crosslinking agent according to the findings of molecular *** effects of operating conditions,including reactions temperature,crosslinking agent,and catalyst content on the softening point and yield of B-COPNA resin products were then investigated to optimize the *** reaction mechanism of resin production was studied by analyzing the molecular structure and transition state of ETLF and crosslinking *** was shown that PXG exhibited a superior capacity of withdrawing electrons and a higher electrophilic reactivity than other crosslinking *** addition to the highest yield and greatest heat properties,PXG-prepared resin contained the most condensed *** corresponding optimized conditions of resin preparation were 180℃,1:1.9(PXG:ETLF),and 3%(mass)of catalyst content with a resin yield of 78.57%.It was the electrophilic substitution reaction that occurred between the ETLF and crosslinking agent molecules that were responsible for the resin formation,according to the experimental characterization and molecular ***,it was confirmed that the proposed strategy and demonstrated process can achieve a clean and high value-added utilization of ETLF via B-COPNA resin preparation,bringing huge economic value to the current petrochemical industry.

关键词： Ethylene tar Crosslinking COPNA resin Molecular simulation Transient state

Integrating sequence and graph information for enhanced drug-target affinity prediction

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science China(Information sciences) 2024年第2期67卷 325-326页

作者： Haohuai HE Guanxing CHEN Calvin Yu-Chian CHEN Artificial Intelligence Medical research center School of Intelligent Systems EngineeringShenzhen Campus of Sun Yat-sen University

Drug discovery is a pivotal discipline involving the identification and development of innovative pharmaceuticals designed to combat a wide array of illnesses. It plays a crucial role in advancing global health outcomes and improving the standard of living for individuals worldwide. However,drug discovery often relies on laborious in vitro experiments,

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Methyltransferase-like 3(METTL3)inhibition potentiates anti-tumor immunity:a novel strategy for improving anti-PD1 therapy

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Signal Transduction and Targeted Therapy 2024年第1期9卷 10-11页

作者： Anna Brichkina Roman Suezov Magdalena Huber Institute of systems Immunology Member of the German Center for Lung Research(DZL)Philipps University of Marburg35043 MarburgGermany

In a recent article published in Cancer Discovery,Guirguis et *** that enzymatic inhibitors of the m6 A methyltransferase METTL3 induced a formation of immunostimulatory doublestranded mRNAs(dsRNAs)in cancer cells,which triggered a profound tumor-cell-intrinsic interferon response leading to an enhanced antigen presentation and thereby increased killing of tumor cells by cytotoxic CD8+*** inhibition of METTL3 synergized with anti-PD1 immunotherapy,highlighting its potential for improving cancer treatment.

关键词： PD1 immunity

Geometry characteristics and wide temperature behavior of silicon-based GaN surface acoustic wave resonators with ultrahigh quality factor

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science China(Information sciences) 2024年第2期67卷 267-278页

作者： Guofang YU Renrong LIANG Haiming ZHAO Lei XIAO Jie CUI Yue ZHAO Wenpu CUI Jing WANG Jun XU Jun FU Tianling REN School of Integrated Circuits Tsinghua University Beijing National research center for Information science Technology Tsinghua University

Surface acoustic wave(SAW) resonators with an ultrahigh Q-factor are designed and fabricated on silicon-based gallium nitride(GaN/Si). The temperature-dependent performance is characterized over a wide range, from 10 to 500 K. Finite element analysis is employed to guide the design of the SAW resonator from indications of the Rayleigh mode and weak propagation direction dependence of SAW in the c-plane of GaN/Si. The SAW resonator with 100 pairs of interdigital transducers(IDT), 100 pairs of grating reflectors(GR) for each side, aperture size of 80 μm, metallization ratio of 0.5, and electrode width of 500 nm resonates at 1.9133 GHz accordingly with an ultrahigh Q-factor of 7622 at room temperature, which contributes the fr× Qr, up to 14.583×1012Hz. A resonator operating over 10 to 500 K indicates an approximately linear decreasing temperature dependence above 280 K while being approximately constant below 40 K. The fitting to resonator characteristics using the modified Butterworth Van Dyke(m BVD) model reveals a reduction in both the electrode and mechanical losses while worsening the dielectric loss with cooling down.

关键词： GaN/Si SAW resonator ultrahigh Q-factor temperature-dependent performance mBVD losses

Twisted Integration of complex Oxide Magnetoelectric Heterostructures via Water‑Etching and Transfer Process

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Nano-Micro Letters 2024年第1期16卷 360-369页

作者： Guannan Yang Guohua Dong Butong Zhang Xu Xu Yanan Zhao Zhongqiang Hu Ming Liu State Key Laboratory for Manufacturing systems Engineering Electronic Materials Research LaboratoryKey Laboratory of the Ministry of EducationEngineering Research Center of Spin Quantum Sensor ChipsUniversities of Shaanxi ProvinceSchool of Electronic Science and EngineeringXi’an Jiaotong UniversityXi’an 710049People’s Republic of China

Manipulating strain mode and degree that can be applied to epitaxial complex oxide thin films have been a cornerstone of strain *** recent years,lift-off and transfer technology of the epitaxial oxide thin films have been developed that enabled the integration of heterostructures without the limitation of material types and crystal ***,twisted integration would provide a more interesting strategy in artificial magnetoelectric heterostructures.A specific twist angle between the ferroelectric and ferromagnetic oxide layers corresponds to the distinct strain regulation modes in the magnetoelectric coupling process,which could provide some insight in to the physical *** this work,the La_(0.67)Sr_(0.33)MnO_(3)(001)/0.7Pb(Mg_(1/3)Nb_(2/3))O_(3)-0.3PbTiO_(3)(011)(LSMO/PMN-PT)heterostructures with *** *** angles were assembled via water-etching and transfer *** transferred LSMO films exhibit a fourfold magnetic anisotropy with easy axis along LSMO.A coexistence of uniaxial and fourfold magnetic anisotropy with LSMO[110]easy axis is observed for the 45°Sample by applying a 7.2 kV cm^(−1)electrical field,significantly different from a uniaxial anisotropy with LSMO[100]easy axis for the 0°*** fitting of the ferromagnetic resonance field reveals that the strain coupling generated by the 45°twist angle causes different lattice distortion of LSMO,thereby enhancing both the fourfold and uniaxial *** work confirms the twisting degrees of freedom for magnetoelectric coupling and opens opportunities for fabricating artificial magnetoelectric heterostructures.

关键词： Magnetoelectric heterostructures Twist angle Epitaxial lift-off Magnetic anisotropy Ferromagnetic resonance