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Improved oxygen electrocatalysis at Fe N4 and Co N4 sites via construction of axial coordination

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Chinese Chemical Letters 2025年第2期36卷 482-487页

作者： Ze Zhang Lei Yang Jin-Ru Liu Hao Hu Jian-Li Mi Chao Su Bei-Bei Xiao Zhi-Min Ao School of Energy and Power Engineering Jiangsu University of Science and Technology Institute for Computation in Molecular and Materials science School of Chemistry and Chemical Engineering Nanjing University of Science and Technology Institute for Advanced Materials School of Materials Science and Engineering Jiangsu University Advanced interdisciplinary Institute of Environment and Ecology Beijing Normal University

The quest for efficient and durable catalysts using abundant resources has garnered significant interest in the field of bifunctional oxygen *** this contribution,we have designed a FeN4or CoN4embedded graphene-based bilayer as active layer and TMC3or TMN3doped graphene as supporting layer,named as FeN4/TMC3or FeN4/TMN3and CoN4/TMC3or CoN4/TMN3,wherein TM strands for transition *** on density functional theory calculations,our results demonstrate that the interaction formed between dual metal atoms in the bilayer interspace leads to the coordination environment altered from flat four-coordination to spatial five-coordination,further stabilizing the bilayer structure and impairing its affinity toward the O-containing *** to thermodynamic analysis,the bilayers of CoN4/CoN3,FeN4/FeC3,FeN4/CoC3,FeN4/NiC3,FeN4/ZnC3,FeN4/FeN3,FeN4/CrN3and FeN4/ZnN3are attractively promising for bifunctional oxygen electrocatalysis due to the small overpotential differenceΔη between oxygen reduction and oxygen evolution that are less than 1 *** functional theory calculations combined with machine learning analysis directly identify the key role played by the interbinding formed between bilayers,that boosts catalytic activity,which establishes a predictable framework for a fast screen for graphene-based bilayer vertical *** work opens up a new path for designing the efficient electrocatalysts via modification of coordination environment.

关键词： Density functional theory Machine learning Oxygen electrocatalysis Thermodynamic analysis

Deterministic quantum state and gate teleportation between distant superconducting chips

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science Bulletin 2025年第3期70卷 351-358页

作者： Jiawei Qiu Yang Liu Ling Hu Yukai Wu Jingjing Niu Libo Zhang Wenhui Huang Yuanzhen Chen Jian Li Song Liu Youpeng Zhong Luming Duan Dapeng Yu Shenzhen Institute for Quantum science and Engineering Southern University of Science and TechnologyShenzhen 518055China International Quantum Academy Shenzhen 518048China Guangdong Provincial Key Laboratory of Quantum science and Engineering Southern University of Science and TechnologyShenzhen 518055China Center for Quantum Information Institute for Interdisciplinary Information SciencesTsinghua UniversityBeijing 100084China Department of Physics Southern University of Science and TechnologyShenzhen 518055China

Quantum teleportation is of both fundamental interest and great practical importance in quantum information *** date,quantum teleportation has been implemented in various physical systems,among which superconducting qubits are of particular practical significance as they emerge as a leading system to realize large-scale quantum ***,scaling up the number of superconducting qubits on a single chip becomes increasing challenging because of some emergent technical *** of quantum teleportation and remote computation over qubits on distant superconducting chips is a key quantum communication technology to scaling up the system through a distributed quantum computational ***,this goal has not been realized yet in experiments due to the technical challenges including making a quantum interconnect between distant superconducting chips and the inefficient transfer of flying microwave photons over the lossy *** we demonstrate deterministic teleportation of quantum states and entangling gates between distant superconducting chips connected by a 64-m-long cable bus featuring an ultralow loss of 0.32 dB/km at cryogenic temperatures,where high fidelity remote entanglement is generated via flying microwave *** work demonstrates a prime building block for distributed quantum computation with superconducting qubits,and opens up a new avenue for waveguide quantum electrodynamics and quantum photonics at microwave frequencies.

关键词： Superconducting circuits Quantum network Quantum computing Flying microwave photon

Optimized reinforcement of granite residual soil using a cement and alkaline solution: A coupling effect

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Journal of Rock Mechanics and Geotechnical Engineering 2025年第1期17卷 509-523页

作者： Bingxiang Yuan Jingkang Liang Baifa Zhang Weijie Chen Xianlun Huang Qingyu Huang Yun Li Peng Yuan School of Civil and Transportation Engineering Guangdong University of TechnologyGuangzhou510006China School of Environmental science and Engineering Guangdong University of TechnologyGuangzhou510006China Shenzhen Key Laboratory of Natural Gas Hydrates Academy for Advanced Interdisciplinary StudiesSouthern University of Science and TechnologyShenzhen518055China

Granite residual soil (GRS) is a type of weathering soil that can decompose upon contact with water, potentially causing geological hazards. In this study, cement, an alkaline solution, and glass fiber were used to reinforce GRS. The effects of cement content and SiO_(2)/Na2O ratio of the alkaline solution on the static and dynamic strengths of GRS were discussed. Microscopically, the reinforcement mechanism and coupling effect were examined using X-ray diffraction (XRD), micro-computed tomography (micro-CT), and scanning electron microscopy (SEM). The results indicated that the addition of 2% cement and an alkaline solution with an SiO_(2)/Na2O ratio of 0.5 led to the densest matrix, lowest porosity, and highest static compressive strength, which was 4994 kPa with a dynamic impact resistance of 75.4 kN after adding glass fiber. The compressive strength and dynamic impact resistance were a result of the coupling effect of cement hydration, a pozzolanic reaction of clay minerals in the GRS, and the alkali activation of clay minerals. Excessive cement addition or an excessively high SiO_(2)/Na2O ratio in the alkaline solution can have negative effects, such as the destruction of C-(A)-S-H gels by the alkaline solution and hindering the production of N-A-S-H gels. This can result in damage to the matrix of reinforced GRS, leading to a decrease in both static and dynamic strengths. This study suggests that further research is required to gain a more precise understanding of the effects of this mixture in terms of reducing our carbon footprint and optimizing its properties. The findings indicate that cement and alkaline solution are appropriate for GRS and that the reinforced GRS can be used for high-strength foundation and embankment construction. The study provides an analysis of strategies for mitigating and managing GRS slope failures, as well as enhancing roadbed performance.

关键词： Granite residue soil(GRS) Reinforcement Coupling effect Alkali activation Mechanical properties

TRIM66-HP1γ remodels the chromatin through phase separation

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Biophysics Reports 2025年第01期11卷 18-33页

作者： Siyuan Shen Feng Chen Yifan Zhang Fudong Li Xuebiao Yao Dan Liu Yunyu Shi Liang Zhang Center for Advanced interdisciplinary science and Biomedicine of IHM Division of Life Sciences and MedicineUniversity of Science and Technology of China Ministry of Education Key Laboratory for Membraneless Organelles and Cellular Dynamics University of Science and Technology of China Hefei National Research Center for Cross disciplinary science University of Science and Technology of China

Chromatin contains not only heterochromatin(HC) and euchromatins(EC) but also facultative heterochromatin(f HC), which experience the dynamic remodeling between HCs and ECs by different regulators. The regulation of f HCs involves lots of different cell functions, like genomic stability and gene transcription. Heterochromatin protein 1(HP1) recognizes methylated H3K9 and reshapes the chromatin into the f HCs through liquid–liquid phase separation(LLPS). Among the three members of the HP1 family, HP1α can condensate by itself and HP1β forms granules with the help of TRIM28, while the HP1γ cannot phase separation alone either and the coordinator is still unclear. So, in this study, we investigated the molecular mechanism of how HP1γ interacts with TRIM66 through Px Vx L motif. Based on that, we examined the key regions that controlled the TRIM66-HP1γ co-phase separation behaviors both in vitro and in vivo. Furthermore, we proved that the liquid granules of TRIM66-HP1γ and chromatin highly correlated with H3K9me3 sites, which indicated the relationship with DNA damage response. Finally, combined with our previous study, we proposed the system for how TRIM66 remodeled the chromatin into compressed f HC through the TRIM66-HP1γ-H3K9me3 axis with liquid–liquid phase separation.

关键词： Chromatin TRIM66-HP1γ Facultative heterochromatin Phase separation

Vector meson’s spin alignments in high energy reactions

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science China(Physics,Mechanics & Astronomy) 2025年第1期68卷 1-16页

作者： Jin-Hui Chen Zuo-Tang Liang Yu-Gang Ma Xin-Li Sheng Qun Wang Key Laboratory of Nuclear Physics and Ion-beam Application(MoE) Institute of Modern PhysicsFudan UniversityShanghai 200433China Institute of Frontier and interdisciplinary science Key Laboratory of Particle Physics and Particle Irradiation(MOE)Shandong UniversityQingdao 266237China INFN-Firenze Sesto Fiorentino FI 50019Italy Department of Modern Physics University of Science and Technology of ChinaHefei 230026China School of Mechanics and Physics Anhui University of Science and TechnologyHuainan 232001China

The global spin alignment of vector mesons has been observed by the STAR collaboration at the Relativistic Heavy Ion Collider(RHIC)at Brookhaven National Laboratory(BNL).It provides a unique opportunity to probe the correlation between the po-larized quark and antiquark in the strongly coupled quark-gluon plasma(sQGP)produced in relativistic heavy ion collisions,opening a new window to explore the properties of *** addition,spin alignments of vector mesons have also been observed in other high-energy particle collisions such as e^(+)e^(−)annihilations at high energies where hadron production is dominated by quark fragmentation *** results obtained are quite different from those obtained in heavy ion collisions where quark coalescence/combination mechanism dominates suggesting strong dependence on hadronization *** comprehensive studies in different hadronization processes are *** this article,we present a brief review of theoretical and experimen-tal advances in the study of vector meson’s spin alignments in a variety of high-energy particle collisions,with emphasis on hadronization mechanisms.

关键词： vector meson spin alignment global polarization relativistic heavy ion collisions fragmentation

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Laser assisted phase transformation of carbon-based transition metal oxide electrode for high-performance supercapacitor application

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science China Chemistry 2025年

作者： Mingzhen Xiu Jianghong Zhang Yu Lu Xun Cao Kang Huang Siyu Zhu Bowei Zhang Yu Liang Chunwang Zhao Junsheng Wu Yizhong Huang School of Materials science and Engineering Nanyang Technological University Energy Research Institute Interdisciplinary Graduate Programme Nanyang Technological University Institute of Sustainability for Chemicals Energy and Environment Agency for Science Technology and ResearchSingapore Institute of Advanced Materials and technology University of Science and Technology Beijing School of Materials science and technology Shenyang University of Chemical Technology School of Materials science and Hydrogen Energy Foshan University

Transitional metal oxides have a wide range of applications due to their superior *** enhanced performance of metal oxide relies on their desirable oxidation states,which is challenging to achieve and requires complex *** study demonstrates a facile strategy enabling rapid phase transformation of transition metal *** approach involves synthesis of a tetragonal Mn3O4/carbon cloth composite using the liquid plasma discharge deposition （LPDD） technique,followed by laser irradiation with the presence of ethylene glycol under an N2gas *** resulting face-centered cubic MnO/carbon cloth electrode exhibits an excellent capacitance of 1,125 F g-1at 2 A g-1,with remarkable capacitance retention of 95%after10,000 *** approach can be extended to other transition metals including Co,Cu,Cr,Fe,Ni,and *** simulations reveal the significance of ethylene glycol and the underlying mechanism associated with the phase transformation of transition metal *** present study offers a powerful technique for the phase transformation of transition metal oxide which can guide the development of new electrode materials with enhanced electrochemical properties for high-performance energy storage applications.

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A comprehensive review of deactivation and modification of selective catalytic reaction catalysts installed in cement kilns

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Journal of Environmental sciences 2025年第2期148卷 451-467页

作者： Yang Zheng Yi Xing Guoliang Li Jiajia Gao Rui Li Qi Liu Tao Yue School of Energy and Environmental Engineering University of Science and Technology BeijingBeijing 100083China State Key Laboratory of Advanced Metallurgy University of Science and Technology BeijingBeijing 100083China

After the ultralow emission transformation of coal-fired power plants,cement production became China’s leading industrial emission source of nitrogen *** gas dust contents at the outlet of cement kiln preheaters were as high as 80-100 g/m^(3),and the calcium oxide content in the dust exceeded 60%.Commercial V_(2)O_(5)(-WO3)/TiO_(2) catalysts suitable for coal-fired flue gas suffer from alkaline earth metal Ca poisoning of cement kiln flue *** studies have also identified the poisoning of cement kiln selective catalytic reaction(SCR)catalysts by the heavy metals lead and *** of the poisoning process is the primary basis for analyzing the catalytic *** review summarizes and analyzes the SCR catalytic mechanism and chronicles the research progress concerning this poisoning *** on the catalytic and toxification mechanisms,it can be inferred that improving the anti-poisoning performance of a catalyst enhances its acidity,surface redox performance-active catalytic sites,and shell layer *** data provide support in guiding engineering practice and reducing operating costs of SCR ***,future research directions for SCR denitrification catalysts in the cement industry are *** study provides critical support for the development and optimization of poisoning-resistant SCR denitrification catalysts.

关键词： Cement Flue Gas NH_(3)-SCR CaO Poisoning Mechanism Anti-poisoning Modification

Explaining the better generalization of label distribution learning for classification

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science China(Information sciences) 2025年

作者： Jing WANG Xin GENG School of Computer science and Engineering Southeast University Key Laboratory of New Generation Artificial Intelligence technology and Its interdisciplinary Applications(Southeast University) Ministry of Education

Label distribution learning (LDL) has shown advantages over traditional single-label learning (SLL) in many realworld applications, but its superiority has not been theoretically understood. In this paper, we attempt to explain why LDL generalizes better than SLL. Label distribution has rich supervision information such that an LDL method can still choose the sub-optimal label from label distribution even if it neglects the optimal one. In comparison, an SLL method has no information to choose from when it fails to predict the optimal label. The better generalization of LDL can be credited to the rich information of label distribution. We further establish the label distribution margin theory to prove this explanation; inspired by the theory,we put forward a novel LDL approach called LDL-LDML. In the experiments, the LDL baselines outperform the SLL ones, and LDL-LDML achieves competitive performance against existing LDL methods, which support our explanation and theories in this paper.

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Optimizing hardware-software co-design based on non-ideality in memristor crossbars for in-memory computing

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science China(Information sciences) 2025年第2期68卷 354-369页

作者： Pinfeng JIANG Danzhe SONG Menghua HUANG Fan YANG Letian WANG Pan LIU Xiangshui MIAO Xingsheng WANG School of Integrated Circuits Huazhong University of Science and Technology Hubei Yangtze Memory Labs

The memristor crossbar, with its exceptionally high storage density and parallelism, enables efficient vector matrix multiplication(VMM), significantly improving data throughput and computational efficiency. However, its analog computing is vulnerable to issues like IR-drop, device-to-device(D2D) variation, and stuck-at-fault(SAF), leading to a substantial decrease in the inference accuracy of neural networks deployed on crossbars. This work presents a hardware-software co-design approach tailored to deal with memristor crossbar non-ideality. We introduce an end-to-end functional array simulator(FAST) for precise and ultra fast end-to-end training, mapping, and evaluation of neural networks on the memristor crossbar. Utilizing the sparsity of the memristor crossbar coefficient matrix, it achieves simulation with low storage and computational resource requirements,dynamically selecting the optimal solution to complete the process. It can also precisely simulate the impact of non-ideal effects such as IR-drop, retention, variation, SAF, and AD/DA precision. Using FAST, we assess memristor crossbar matrix operations under non-ideal conditions, identifying the max throughput and the most energy-efficient crossbar configurations. Additionally,we propose a comparator-based activation function modulation(CAFM) scheme and its corresponding hardware architecture with programmable activation function circuits to address the IR-drop issue, enabling low power and area overheads, resulting in the recovery of neural network accuracy by 54% or more. This is validated within FAST, demonstrating the success of our hardware-software optimization co-design.

关键词： memristor crossbar IR-drop neural network activation function hardware-software co-design

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