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Halogen modified two-dimensional covalent triazine frameworks as visible-light driven photocatalysts for overall water splitting

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Science China Chemistry 2020年第8期63卷 1134-1141页

作者： cen-feng fu Chuanyu Zhao Qijing Zheng Xingxing Li Jin Zhao Jinlong Yang Hefei National Laboratory of Physical Science at the Microscale Department of Chemical PhysicsSynergetic Innovation Center of Quantum Information&Quantum PhysicsUniversity of Science and Technology of ChinaHefei 230026China

The covalent triazine framework CTF-1 as a member of the two-dimensional covalent organic frameworks(COFs)is a category of novel metal-free photocatalysts for water *** large band gap severely restricts its energy conversion *** means of the first-principles calculations,we proposed the decoration of CTF-1 by anchoring halogen atoms onto benzene moieties for improving the solar-to-hydrogen(STH)*** electronic structures reveal that the halogen substitution successfully decreases the band gap of ***,the calculated free energy changes along the reaction pathway indicate that all these COFs can spontaneously drive overall water splitting under light irradiation in a specific acid-base *** time-dependent ab initio non-adiabatic molecular dynamics simulations suggest that the electron-hole recombination periods of these COFs fall in a few to tens of ***,CTF-1 modified by linking six iodine atoms onto the benzene ring in the para-position(CTF-1-6I)shows a quite low band gap of 2.81 eV,indicating that it is a visible-light driven COF for overall photocatalytic water ***,CTF-1-6I also exhibits an extraordinarily promising STH efficiency of 3.70%,which is an order magnitude higher than that of the pristine CTF-1.

关键词： photocatalytic water splitting covalent organic frameworks first-principles calculations halogen substitution

Wetting and spreading dynamics of the liquid droplets on the surface

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Wetting and spreading dynamics of the liquid droplets on the...

Reducing the measurement errors in nonadiabatic holonomic quantum computers

中国化学会第十二届全国量子化学会议

作者： cen-feng fu Shan Xi Tian Hefei National Laboratory for Physical Sciences at the Microscale and Department of Chemical Physics University of Science and Technology of China

All-atom molecular dynamics simulations for the liquid droplets of water,benzene,methanol,ethanol,propanol,butanol,phenylmethanol,2-phenyl-ethanol,3-phenyl-1-propanol,and4-phenyl-1-butanol on graphene are preformed,aiming to explore the wetting and spreading dynamics of liquid droplet on solid *** spreading velocity of alcohols and phenylated alcohols are reduced with the increase of the length of carbon *** the same length of carbon chains,the spreading velocity of alcohols are much larger than that of phenylated ***,the self-diffusion coefficient is found to be significant for the spreading velocity of the liquid *** the temperature effects on the spreading exponent,the following relationship between the contact radius R and time t is established:R(t)α k/T+b,whereαis the spreading exponent,and T is the temperature.

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 64-70页

作者： Guo-fu Xu Department of Physics Shandong University

Nonadiabatic holonomic quantum computers serve as the physical platform for nonadiabatic holonomic quantum *** quantum computation has entered the noisy intermediate-scale era, building accurate intermediate-scale nonadiabatic holonomic quantum computers is clearly necessary. Given that measurements are the sole means of extracting information, they play an indispensable role in nonadiabatic holonomic quantum computers. Accordingly, developing methods to reduce measurement errors in nonadiabatic holonomic quantum computers is of great importance. However, while much attention has been given to the research on nonadiabatic holonomic gates, the research on reducing measurement errors in nonadiabatic holonomic quantum computers is severely lacking. In this study, we propose a measurement error reduction method tailored for intermediate-scale nonadiabatic holonomic quantum computers. The reason we say this is because our method can not only reduce the measurement errors in the computer but also be useful in mitigating errors originating from nonadiabatic holonomic gates. Given these features,our method significantly advances the construction of accurate intermediate-scale nonadiabatic holonomic quantum computers.

关键词： quantum holonomy quantum computation measurement errors

Engineering N3C vacancies in hierarchical porous carbon nitride nanosheets for room temperature ultradeep photocatalytic aerobic oxidative desulfurization

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Science China Chemistry 2025年

作者： Yina Nie Weijie Yang Xin Wang Xiang Li Lele Wei Xiaolin Bai Lin Liu feng fu Jun Wan College of Chemistry & Chemical Engineering Research Institute of Comprehensive Energy Industrial Technology Shaanxi Key Laboratory of Chemical Reaction Engineering Yan'an University Anhui Engineering Research center of Carbon Neutrality College of Chemistry and Materials Science Anhui Normal University

The production of ultra-low sulfur clean fuels holds global significance for improving energy efficiency and reducing environmental pollution. Photocatalytic aerobic oxidative desulfurization（PODS） offers an attractive approach to efficiently remove refractory heterocyclic aromatic sulfur compounds under mild conditions. However, the sluggish charge dynamics,insufficient molecule activation, and slow mass transfer within photocatalysts restrict the overall desulfurization efficiency,hindering the widespread application of this technology. Herein, we developed a defective g-C3N4（M1U3CN） photocatalyst with bridged N3Cvacancies and hierarchical porous structures to address these limitations. This catalyst not only demonstrates outstanding dibenzothiophene（DBT） removal efficiency of 99.6% for model oil with high conversion and selectivity but also achieves complete sulfur removal from gasoline as well as 96.7% sulfur removal for distilled diesel at room temperature,successfully achieving ultradeep aerobic oxidative desulfurization. The introduction of rich N3Cvacancies and abundant micromeso-macroporous distribution in M1U3CN enhances kinetic efficiencies by promoting charge carrier separation, mass transfer,and molecular activation simultaneously; resulting in exceptional PODS performance. This work provides a collaborative strategy to overcome kinetic challenges in aerobic oxidative desulfurization via defect and structural engineering of the catalyst.

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Loss Aware Feature Attention Mechanism for Class and Feature Imbalance Issue

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Computers, Materials & Continua 2025年第1期82卷 751-775页

作者： Yuewei Wu Ruiling fu Tongtong Xing fulian Yin College of Information and Communication Engineering Communication University of ChinaBeijing100024China State Key Laboratory of Media Convergence and Communication Communication University of ChinaBeijing100024China

In the Internet era,recommendation systems play a crucial role in helping users find relevant information from large *** imbalance is known to severely affect data quality,and therefore reduce the performance of recommendation *** to the imbalance,machine learning algorithms tend to classify inputs into the positive(majority)class every time to achieve high prediction *** can be categorized such as by features and classes,but most studies consider only class *** this paper,we propose a recommendation system that can integrate multiple networks to adapt to a large number of imbalanced features and can deal with highly skewed and imbalanced datasets through a loss *** propose a loss aware feature attention mechanism(LAFAM)to solve the issue of feature *** network incorporates an attention mechanism and uses multiple sub-networks to classify and learn *** better results,the network can learn the weights of sub-networks and assign higher weights to important *** propose suppression loss to address class imbalance,which favors negative loss by penalizing positive loss,and pays more attention to sample points near the decision *** on two large-scale datasets verify that the performance of the proposed system is greatly improved compared to baseline methods.

关键词： Imbalanced data deep learning e-commerce recommendation loss function big data analysis

Advancements and Challenges in Organic–Inorganic Composite Solid Electrolytes for All‑Solid‑State Lithium Batteries

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Nano-Micro Letters 2025年第1期17卷 46-97页

作者： Xueyan Zhang Shichao Cheng Chuankai fu Geping Yin Liguang Wang Yongmin Wu Hua Huo State Key Laboratory of Space Power‑Sources School of Chemistry and Chemical EngineeringHarbin Institute of TechnologyHarbin 150001People’s Republic of China College of Chemical and Biological Engineering Zhejiang UniversityHangzhou 310058People’s Republic of China State Key Laboratory of Space Power-Sources 2965 Dongchuan RoadMinhang DistrictShanghai 200240People’s Republic of China

To address the limitations of contemporary lithium-ion batteries,particularly their low energy density and safety concerns,all-solid-state lithium batteries equipped with solid-state electrolytes have been identified as an up-and-coming *** the various SEs,organic–inorganic composite solid electrolytes(OICSEs)that combine the advantages of both polymer and inorganic materials demonstrate promising potential for large-scale ***,OICSEs still face many challenges in practical applications,such as low ionic conductivity and poor interfacial stability,which severely limit their *** review provides a comprehensive overview of recent research advancements in ***,the influence of inorganic fillers on the main functional parameters of OICSEs,including ionic conductivity,Li+transfer number,mechanical strength,electrochemical stability,electronic conductivity,and thermal stability are systematically *** lithium-ion conduction mechanism of OICSE is thoroughly analyzed and concluded from the microscopic ***,the classic inorganic filler types,including both inert and active fillers,are categorized with special emphasis on the relationship between inorganic filler structure design and the electrochemical performance of ***,the advanced characterization techniques relevant to OICSEs are summarized,and the challenges and perspectives on the future development of OICSEs are also highlighted for constructing superior ASSLBs.

关键词： Composite solid electrolytes Inorganic filler Interfacial stability Li-ion conduction mechanism Characterization techniques

Quantum public-key crypto via EPR pairs

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 58-63页

作者： Xiang-Qun fu Hong-Wei Li Jian-Hong Shi Tan Li Wan-Su Bao Henan Key Laboratory of Quantum Information and Cryptography Information Engineering University Synergetic Innovation center of Quantum Information and Quantum Physics University of Science and Technology of China

With the development of quantum computing technology, quantum public-key cryptography is gradually becoming an alternative to the existing classical public-key cryptography. This paper designs a quantum trapdoor one-way function via EPR pairs and quantum measurements. Based on this, a new quantum public-key cryptosystem is presented, which offers forward security,and can resist the chosen-plaintext attack and chosen-ciphertext attack. Compared with the existing quantum public-key cryptos,eavesdropping can be automatically detected in this new quantum public-key cryptosystem under a necessary condition, which is also detailed in the paper.

关键词： quantum public-key crypto trapdoor one-way function EPR pairs

A hybrid-stress element based on Hamilton principle

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Acta Mechanica Sinica 2010年第4期26卷 625-634页

作者： Song cen Tao Zhang Chen-feng Li Xiang-Rong fu Yu-Qiu Long Department of Engineering Mechanics School of Aerospace Tsinghua University Beijing 100084 China Civil and Computational Engineering centre School of Engineering Swansea University Swansea SA2 8PP UK College of Water Conservancy and Civil Engineering China Agriculture University Beijing 100083 China Department of Civil Engineering Tsinghua University Beijing 100084 China

A novel hybrid-stress finite element method is proposed for constructing simple 4-node quadrilateral plane elements, and the new element is denoted as HH4-3fl here. Firstly, the theoretical basis of the traditional hybrid-stress elements, i.e., the Hellinger-Reissner variational principle, is replaced by the Hamilton variational principle, in which the number of the stress variables is reduced from 3 to 2. Secondly, three stress parameters and corresponding trial functions are introduced into the system equations. Thirdly, the displacement fields of the conventional bilinear isoparametric element are employed in the new models. Finally, from the stationary condition, the stress parameters can be expressed in terms of the displacement parameters, and thus the new element stiffness matrices can be obtained. Since the required number of stress variables in the Hamilton variational principle is less than that in the Hellinger-Reissner variational principle, and no additional incompatible displacement modes are considered, the new hybrid-stress element is simpler than the traditional ones. furthermore, in order to improve the accuracy of the stress solutions, two enhanced post-processing schemes are also proposed for element HH4-3β. Numerical examples show that the proposed model exhibits great improvements in both displacement and stress solutions, implying that the proposed technique is an effective way for developing simple finite element models with high performance.

关键词： Finite element Hamilton variational principle Hybrid-stress element Post-processing schemes

Bidirectional regulation of the brain-gut-microbiota axis following traumatic brain injury

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Neural Regeneration Research 2025年第8期20卷 2153-2168页

作者： Xinyu You Lin Niu Jiafeng fu Shining Ge Jiangwei Shi Yanjun Zhang Pengwei Zhuang National Key Laboratory of Chinese Medicine Modernization Tianjin University of Traditional Chinese MedicineTianjinChina Haihe Laboratory of Modern Chinese Medicine Tianjin University of Traditional Chinese MedicineTianjinChina First Teaching Hospital of Tianjin University of Traditional Chinese Medicine TianjinChina National Clinical Research center for Chinese Medicine Acupuncture and Moxibustion TianjinChina

Traumatic brain injury is a prevalent disorder of the central nervous *** addition to primary brain parenchymal damage,the enduring biological consequences of traumatic brain injury pose long-term risks for patients with traumatic brain injury;however,the underlying pathogenesis remains unclear,and effective intervention methods are *** dysfunction is a significant consequence of traumatic brain *** the most densely innervated peripheral tissue in the body,the gut possesses multiple pathways for the establishment of a bidirectional“brain-gut axis”with the central nervous *** gut harbors a vast microbial community,and alterations of the gut niche contribute to the progression of traumatic brain injury and its unfavorable prognosis through neuronal,hormonal,and immune pathways.A comprehensive understanding of microbiota-mediated peripheral neuroimmunomodulation mechanisms is needed to enhance treatment strategies for traumatic brain injury and its associated *** comprehensively reviewed alterations in the gut microecological environment following traumatic brain injury,with a specific focus on the complex biological processes of peripheral nerves,immunity,and microbes triggered by traumatic brain injury,encompassing autonomic dysfunction,neuroendocrine disturbances,peripheral immunosuppression,increased intestinal barrier permeability,compromised responses of sensory nerves to microorganisms,and potential effector nuclei in the central nervous system influenced by gut ***,we reviewed the mechanisms underlying secondary biological injury and the dynamic pathological responses that occur following injury to enhance our current understanding of how peripheral pathways impact the outcome of patients with traumatic brain *** review aimed to propose a conceptual model for future risk assessment of central nervous system-related diseases while elucidating novel insights into the bidirectional effec

关键词： traumatic brain injury brain-gut-microbiome axis gut microbiota neuroimmune immunosuppression host defense vagal afferents bacterial infection dorsal root ganglia nociception neural circuitry