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Harnessing data using symbolic regression methods for discovering novel paradigms in physics

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Science China(Physics,Mechanics & Astronomy) 2024年第6期67卷 1-11页

作者： Jianyang Guo Wan-Jian Yin college of energy Soochow Institute for Energy and Materials Innovations(SIEMIS)Jiangsu Provincial Key Laboratory for Advanced Carbon Materials and Wearable Energy TechnologiesSoochow UniversitySuzhou 215006China Shanghai Qi Zhi institute Shanghai 200232China Light Industry institute of Electrochemical Power Sources Soochow UniversitySuzhou 215006China

In recent years,machine-learning methods have profoundly impacted research in the interdisciplinary fields of ***,most machine-learning models lack interpretability,and physicists doubt the credibility of their conclusions because they cannot be combined with prior physical ***,this review focuses on symbolic regression,which is an interpretable machine-learning ***,the relevant concepts of machine learning are introduced in conjunction with ***,we provide an overview of symbolic regression ***,the recent directions for the application of symbolic regression methods in different subfields of physics are outlined,and an overview of the ways in which the applications of symbolic regression have evolved in the realm of physics is *** major aim of this review is to introduce the basic principles of symbolic regression and explain its applications in the field of physics.

关键词： machine learning genetic programming symbolic regression

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Hydroxylated metal–organic-layer nanocages anchoring single atomic cobalt sites for robust photocatalytic CO_(2) reduction

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Nano Research 2024年第4期17卷 2410-2419页

作者： Weiyi Pan Zhihe Wei Yanhui Su Yuebin Lian Zhangyi Zheng Huihong Yuan Yongze Qin Xulan Xie Qianqian Bai Zhenyang Jiao Wei Hua Jinzhou Chen Wenjun Yang Zhao Deng Yang Peng soochow institute for energy and materials innovations College of EnergySoochow UniversitySuzhou 215006China Key Laboratory of Advanced Carbon materials and Wearable energy Technologies of Jiangsu Province Soochow UniversitySuzhou 215006China School of Photoelectric Engineering Changzhou institute of technologyChangzhou 213032China Jiangsu Key Laboratory for Advanced Negative Carbon Technologies Soochow UniversitySuzhou 215123China

Assembly of two-dimensional(2D)metal–organic layers(MOLs)based on the hard and soft acid–base theorem represents an exquisite strategy for the construction of photocatalytic platforms in virtue of the highly exposed active sites,much improved mass transport,and greatly elevated ***,nanocages composed of MOLs are produced for the first time through a cosolvent approach utilizing zirconium-based UiO-66-(OH)2 as the structural *** endow the catalytic activity for CO_(2) conversion,single atomic Co^(2+)sites are appended to the Zr-oxo nodes of the MOL cages,demonstrating a remarkable CO yield of 7.74 mmol·g^(-1)·h^(-1) and operational stability of 97.1%product retention after five repeated *** an outstanding photocatalytic performance is mainly attributed to the unique nanocage morphology comprising enormous 2D nanosheets for augmented Co^(2+)exposure and the abundant surface hydroxyl groups for local CO_(2) *** work underlines the tailoring of both metal–organic framework(MOF)morphology and functionality to boost the turnover rate of photocatalytic CO_(2) reduction reaction(CO_(2)RR).

关键词： photocatalytic CO_(2) reduction metal–organic layer nanocage single-atom catalyst co-catalyst

Magnetic-biased chiral molecules enabling highly oriented photovoltaic perovskites

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National Science Review 2024年第2期11卷 221-230页

作者： Jing Chen Caner Deger Zhen-Huang Su Kai-Li Wang Guang-Peng Zhu Jun-Jie Wu Bing-Chen He Chun-Hao Chen Tao Wang Xing-Yu Gao Ilhan Yavuz Yan-Hui Lou Zhao-Kui Wang Liang-Sheng Liao institute of Functional Nano&Soft materials(FUNSOM) Laboratory of Advanced Negative Carbon TechnologiesSoochow University Department of Physics Marmara University Shanghai Synchrotron Radiation Facility(SSRF) Shanghai Advanced Research InstituteChinese Academy of Sciences college of energy Soochow Institute for Energy and Materials Innovations Soochow University Macao institute of materials Science and Engineering Macau University of Science and Technology

The interaction between sites A, B and X with passivation molecules is restricted when the conventional passivation strategy is applied in perovskite（ABX3） photovoltaics. Fortunately, the revolving A-site presents an opportunity to strengthen this interaction by utilizing an external field. Herein, we propose a novel approach to achieving an ordered magnetic dipole moment, which is regulated by a magnetic field via the coupling effect between the chiral passivation molecule and the A-site（formamidine ion） in *** strategy can increase the molecular interaction energy by approximately four times and ensure a well-ordered molecular arrangement. The quality of the deposited perovskite film is significantly optimized with inhibited nonradiative recombination. It manages to reduce the open-circuit voltage loss of photovoltaic devices to 360 mV and increase the power conversion efficiency to 25.22%. This finding provides a new insight into the exploration of A-sites in perovskites and offers a novel route to improving the device performance of perovskite photovoltaics.

关键词： perovskite photovoltaics magnetic moment A-site regulation chiral molecules

Transfer-free chemical vapor deposition graphene for nitride epitaxy: challenges, current status and future outlook

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Science China Chemistry 2024年第3期67卷 824-840页

作者： Xiang Gao Senlin Li Jingfeng Bi Kaixuan Zhou Meng Li Zhongfan Liu Jingyu Sun college of energy Soochow Institute for Energy and Materials InnovationsSUDA-BGI Collaborative Innovation CenterKey Laboratory of Advanced Carbon Materials and Wearable Energy Technologies of Jiangsu ProvinceSoochow UniversitySuzhou 215006China Beijing Graphene institute Beijing 100095China Xiamen Silan Advanced Compound Semiconductor Co.Ltd. Xiamen 361026China

Graphene, a two-dimensional material with outstanding electrical and mechanical properties, has attracted considerable attention in the field of semiconductor technologies due to its potential use as a buffer layer for the epitaxial Ⅲ-nitride growth. In recent years, significant progress has been made in the chemical vapor deposition growth of graphene on various insulating substrates for the nitride epitaxy, which offers a facile, inexpensive, and easily scalable methodology. However, certain challenges are still present in the form of producing high-quality graphene and achieving optimal interface compatibility with Ⅲ-nitride *** this review, we provide an overview of the bottlenecks associated with the transferred graphene fabrication techniques and the state-of-the-art techniques for the transfer-free graphene growth. The present contribution highlights the current progress in the transfer-free graphene growth on different insulating substrates, including sapphire, quartz, SiO_(2)/Si, and discusses the potential applications of transfer-free graphene in the Ⅲ-nitride epitaxy. Finally, it includes the prospects of the transfer-free graphene growth for the Ⅲ-nitride epitaxy and the challenges that should be overcome to realize its full potential in this field.

关键词： Transfer-free chemical vapor deposition graphene for nitride epitaxy challenges current status and future outlook graphene

Zn-air batteries for electric vehicles

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Tungsten 2024年第1期6卷 164-173页

作者： Nai-Qi Meng Yu-Xin Fan Jing-Sheng Cai State Key Laboratory of Molecular Engineering of Polymers Department of Macromolecular ScienceFudan UniversityShanghai 200438China college of energy soochow institute for energy and materials innovations(SIEMIS)Key Laboratory of Advanced Carbon materials and Wearable energy Technologies of Jiangsu Province Soochow UniversitySuzhou 215006China institute of New energy for Vehicles School of Materials Science and EngineeringTongji UniversityShanghai 201804China

The increasingly serious environmental challenges have gradually aroused people's interest in electric *** the last decade,governments and automakers have collaborated on the manufacturing of electric vehicles with high ***-edge battery technologies are pivotal for the performance of electric ***-air batteries are considered as potential power batteries for electric vehicles due to their high ***-air battery researches can be classified into three categories:primary batteries,mechanically rechargeable batteries,and chemically rechargeable *** majority of current studies aim at developing and improving chemically rechargeable and mechanically rechargeable Zn-air *** have tried to use catalytic materials design and device design for Zn-air batteries to make it possible for their applications in electric *** review will highlight the state-of-the-art in primary batteries,mechanically rechargeable batteries,and chemically rechargeable batteries,revealing the prospects of Zn-air batteries for electric vehicles.

关键词： energy storage Electric vehicles Bifunctional oxygen catalysts Mechanically rechargeable Zn-air batteries Chemically rechargeable Zn-air batteries

Effect of electrolyte cation-mediated mechanism on electrocatalytic carbon dioxide reduction

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Chinese Chemical Letters 2024年第7期35卷 139-146页

作者： Yuan Dong Mutian Ma Zhenyang Jiao Sheng Han Likun Xiong Zhao Deng Yang Peng soochow institute of energy and Material innovations College of EnergyJiangsu Key Laboratory of Advanced Carbon Materials and Wearable Energy TechnologiesSoochow UniversitySoochow 215006China Jiangsu Key Laboratory of Advanced Negative Carbon Technologies Soochow UniversitySoochow 215123China School of Chemistry and Chemical Engineering Shihezi UniversityShihezi 832003China School of Chemical and Environmental Engineering Shanghai Institute of TechnologyShanghai 201418China

The steep reduction in costs and systematic optimization of renewable electricity has ignited an intensifying interest in harnessing electroreduction of carbon dioxide(CO_(2)RR)for the generation of chemicals and *** focus of research over the past few decades has been on the optimization of the electrode and the electrolyte ***,cation species in the latter have recently been found to dramatically alter the selectivity of CO_(2)RR and even their catalytic activity by multiple orders of *** a result,the selection of cations is a critical factor in designing catalytic interfaces with high selectivity and efficiency for targeted *** decision-making regarding cation selection relies on a comprehensive understanding of prevailing electrolyte effect models that have been used to elucidate observed experimental *** this perspective,we review the hypotheses that explain how electrolyte cations influence CO_(2)RR by mechanisms such as through tuning of the interfacial electric field,buffering of the local pH,stabilization of the key intermediates and regulation of the interfacial *** endeavor is to elucidate the molecular mechanisms underpinning cation effects,thus fostering the evolution of more holistic and universally applicable predictive *** this regard,we highlight the current challenges in this area of research,while also identifying potential avenues for future investigations.

关键词： CO_(2)electrocatalytic reduction Cation effects Catalytic mechanisms Catalytic interfaces Electric double layer

Substrate screening for superclean graphene growth using firstprinciples calculations

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Nano Research 2024年第4期17卷 2216-2222页

作者： Zhihao Li Xiucai Sun Xiaoli Sun Wan-Jian Yin Zhongfan Liu college of energy Soochow Institute for Energy and Materials InnovationS(SIEMIS)and Jiangsu Provincial Key Laboratory for Advanced Carbon Materials and Wearable Energy TechnologiesSoochow UniversitySuzhou 215006China Graphene Basic Science Research Center Beijing Graphene Institute(BGI)Beijing 100095China Center for Nanochemistry Beijing Science and Engineering Center for NanocarbonsBeijing National Laboratory for Molecular ScienceCollege of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871China

Suppressing the formation of amorphous surface carbon and contaminants during the preparation of graphene by chemical vapor deposition remains an ongoing ***,we analyzed how substrate characteristics affect graphene quality by simulating margin extension,the nucleation process,and defect pegging configurations on mono-crystalline oriented metal substrates with the aim of enhancing graphene *** formation energy and nucleation potential,which are indirect substrate–graphene interaction features,were found to appropriately evaluate graphene *** crystallographic orientation of the metal substrate was discovered to be critical for producing superclean graphene.A low graphene defect density and high nucleation rate on the Cu(100)facet guarantee growth of high-quality graphene,especially in terms of suppressing the formation of amorphous *** addition,rapid kink growth and self-healing on the Cu(100)facet facilitate rapid graphene synthesis,which is also promoted by rapid kink splicing and margin self-repair on this *** study provides theoretical insight useful for the synthesis of superclean graphene.

关键词： superclean graphene defects nucleation metal substrates density functional theory calculations

Nano-Au-decorated hierarchical porous cobalt sulfide derived from ZIF-67 toward optimized oxygen evolution catalysis:Important roles of microstructures and electronic modulation

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Carbon energy 2024年第5期6卷 1-14页

作者： Hongyu Gong Guanliang Sun Wenhua Shi Dongwei Li Xiangjun Zheng Huan Shi Xiu Liang Ruizhi Yang Changzhou Yuan Department of New energy materials School of Environmental and Chemical EngineeringJiangsu University of Science and TechnologyZhenjiangJiangsuChina Advanced materials institute Qilu University of Technology(Shandong Academy of Sciences)JinanShandongChina Shandong Saikesaisi Hydrogen energy Co. Ltd.JinanShandongChina Department of materials Science and Engineering School of Materials Science&EngineeringUniversity of JinanJinanShandongChina Department of New energy Science and Engineering College of EnergySoochow Institute for Energy and Materials InnovationsSoochow UniversitySuzhouJiangsuChina

Enhancing both the number of active sites available and the intrinsic activity of Co-based electrocatalysts simultaneously is a desirable ***,a ZIF-67-derived hierarchical porous cobalt sulfide decorated by Au nanoparticles(NPs)(denoted as HP-Au@CoxSy@ZIF-67)hybrid is synthesized by low-temperature sulfuration *** well-defined macroporous-mesoporous-microporous structure is obtained based on the combination of polystyrene spheres,as-formed CoxSy nanosheets,and ZIF-67 *** novel three-dimensional hierarchical structure significantly enlarges the three-phase interfaces,accelerating the mass transfer and exposing the active centers for oxygen evolution *** electronic structure of Co is modulated by Au through charge transfer,and a series of experiments,together with theoretical analysis,is performed to ascertain the electronic modulation of Co by ***,HP-Au@CoxSy@ZIF-67 catalysts with different amounts of Au were synthesized,wherein Au and NaBH4 reductant result in an interesting“competition effect”to regulate the relative ratio of Co^(2+)/Co^(3+),and moderate Au assists the electrochemical performance to reach the highest ***,the optimized HP-Au@CoxSy@ZIF-67 exhibits a low overpotential of 340 mV at 10 mA cm^(-2)and a Tafel slope of 42 mV dec-1 for OER in 0.1 M aqueous KOH,enabling efficient water splitting and Zn-air battery *** work here highlights the pivotal roles of both microstructural and electronic modulation in enhancing electrocatalytic activity and presents a feasible strategy for designing and optimizing advanced electrocatalysts.

关键词： Au nanoparticles cobalt sulfide electronic modulation hierarchical porous structure oxygen evolution reaction

Salt-assisted vapor-liquid-solid growth of high-quality ultrathin nickel oxide flakes for artificial synapses in image recognition applications

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Nano Research 2024年第5期17卷 4622-4630页

作者： Hui Zhang Zongjie Shen Alei Li Lin Wang Qinan Wang Yunfei Li Yunlei Zhong Juntong Zhu Yong Zhang Mengjiao Han Dan Tian Chun Zhao Lixing Kang Qingwen Li School of Physical Science and Technology Shanghai Tech UniversityShanghai 201210China Division of Advanced materials Suzhou Institute of Nano-Tech and Nano-BionicsChinese Academy of SciencesSuzhou 215123China college of energy Soochow Institute for Energy and Materials Innovationsand Key Laboratory of Advanced Carbon Materials and Wearable Energy Technologies of Jiangsu ProvinceSoochow UniversitySuzhou 215123China Songshan Lake materials Laboratory Dongguan 523808China School of Advanced Technology Xi’an Jiaotong-Liverpool UniversitySuzhou 215123China college of materials Science and Engineering Co-Innovation Center of Efficient Processing and Utilization of Forest ResourcesNanjing Forestry UniversityNanjing 210037China

Transition metal oxides have attracted intense interest owing to their abundant physical and chemical *** controlled preparation of large-area,high-quality two-dimensional crystals is essential for revealing their inherent properties and realizing high-performance ***,fabricating two-dimensional(2D)transition metal oxides using a general approach still presents substantial ***,we successfully achieve highly crystalline nickel oxide(NiO)flakes with a thickness as thin as 3.3 nm through the salt-assisted vapor-liquid-solid(VLS)growth method,which demonstrated exceptional stability under ambient *** explore the great potential of the NiO crystal in this work,an artificial synapse based on the NiO-flake resistive switching(RS)layer is ***-term and long-term synaptic behaviors are obtained with external *** artificial synaptic performance provides the foundation of the neuromorphic application,including handwriting number recognition based on artificial neuron network(ANN)and the virtually unsupervised learning capability based on generative adversarial network(GAN).This pioneering work not only paves new paths for the synthesis of 2D oxides in the future but also demonstrates the substantial potential of oxides in the field of neuromorphic computing.

关键词： nickel oxide(NiO)flakes vapor-liquid-solid(VLS)growth memristor synapse generative adversarial network(GAN)