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Triphenylene adsorption on Cu(111) and relevant graphene self-assembly

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Chinese Physics B 2020年第2期29卷 401-406页

作者： qiao-yue chen Jun-Jie Song Liwei Jing Kaikai Huang Pimo He Hanjie Zhang Zhejiang Province Key Laboratory of Quantum Technology and Device Department of PhysicsZhejiang UniversityHangzhou 310027China Collaborative Innovation Center of Advanced Microstructure Nanjing UniversityNanjing 210093China Department of Fundamental and Social Science Zhejiang University of Water Resources and Electric PowerHangzhou 310018China

Investigations on adsorption behavior of triphenylene(TP) and subsequent graphene self-assembly on Cu(111) were carried out mainly by using scanning tunneling microscopy(STM).At monolayer coverage,TP molecules formed a longrange ordered adsorption structure on Cu(111) with an uniform *** self-assembly on the Cu(111) substrate with TP molecules as precursor was achieved by annealing the sample,and a large-scale graphene overlayer was successfully captured after the sample annealing up to 1000 *** different Moire patterns generated from relative rotational disorders between the graphene overlayer and the Cu(111) substrate were observed,one with 40 rotation between the graphene overlayer and the Cu(111) substrate with a periodicity of 2.93 nm,another with 70 rotation and 2.15 nm of the size of the Moire supercell,and the third with 100 rotation with a periodicity of 1.35 nm.

关键词： triphenylene graphene Cu(111) scanning tunneling microscopy

Adsorption behavior of triphenylene on Ru(0001) investigated by scanning tunneling microscopy

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Chinese Physics B 2019年第7期28卷 407-412页

作者： Li-Wei Jing Jun-Jie Song Yu-Xi Zhang qiao-yue chen Kai-Kai Huang Han-Jie Zhang Pi-Mo He Zhejiang Province Key Laboratory of Quantum Technology and Device Department of Physics Zhejiang University Hangzhou 310027 China Collaborative Innovation Center of Advanced Microstructure Nanjing University Nanjing 210093 China School of Information Science and Engineering Ningbo Institute of Technology Zhejiang University Ningbo 315100 China Department of Fundamental and Social Science Zhejiang University of Water Resources and Electric Power Hangzhou 310018 China

As a representative of small aromatic molecules, triphenylene(TP) has markedly high carrier mobility and is an ideal precursor for building graphene nanostructures. We mainly investigated the adsorption behavior of TP molecules on Ru(0001) by using scanning tunneling microscopy(STM). In submonolayer regime, TP molecules are randomly dispersed on Ru(0001) and the TP overlayer can be thoroughly dehydrogenated and converted into graphene islands at 700 K. Due to weak interaction between TP molecules and graphene, the grooves formed among graphene islands have confinement effect on TP molecules. TP adopts a flat-lying adsorption mode and has two adsorption configurations with the 3-fold molecular axis aligned almost parallel or antiparallel to the ■ direction of the substrate. At TP coverages of 0.6 monolayer(ML)and 0.8 ML, the orientational distributions of the two adsorption configurations are equal. At about 1.0 ML, we find the coexistence of locally ordered and disordered phases. The ordered phase includes two sets of different superstructures with the symmetries of ■R23.41° and p(4 × 4), respectively. The adsorption behavior of TP on Ru(0001) can be attributed to the delicate balance between molecule–substrate and molecule–molecule interactions.

关键词： self-assembly ordered superstructure scanning tunneling microscopy

Integrating serum pharmacochemistry,network pharmacology and metabolomics analysis to explore the possible mechanism of Qingjiehuagong decoction in the treatment of acute pancreatitis

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Traditional Medicine Research 2023年第9期8卷 49-71页

作者： Bai-Jun Qin Min-Chao Feng Chi Zhang Xian-Zhong Bu Wen-Hao Gong yue-qiao chen Yan Tang Hui Li Kun-Rong Liu Guo-Zhong chen Xi-Ping Tang Department of Gastroenterology Chongqing Traditional Chinese Medicine HospitalChongqing 400011China Guangxi Key Laboratory of Molecular Biology of Traditional Chinese Medicine and Preventive Medicine Nanning 530000China Department of Orthopedics Ruikang Hospital Affiliated to Guangxi University of Chinese MedicineNanning 530000China Department of Gastroenterology The First Affiliated Hospital of Guangxi University of Chinese MedicineNanning 530000China Department of Endoscopy Center Cancer Hospital Affiliated to Guangxi Medical UniversityNanning 530000China

Background:The Qingjiehuagong decoction(QJHGD),which has been used in clinical trials to treat acute pancreatitis(AP),has demonstrated encouraging ***:In this particular investigation,we used both metabolomics and network pharmacology to investigate the fundamental processes and targets that QJHGFD employs to cure ***:Using a cerulein-induced rat model of AP,we showed that QJHGD effectively improved pancreatic tissue damage and reduced serum levels of AMY,LPS,IL-1β,IL-6,IL-8 and TNF-α.In total,28 blood entry compounds derived from QJHGD were identified by ultra-performance liquid chromatography-high resolution mass spectrometry *** intersecting target genes of 108 genes associated with identified compounds in QJHGD and AP disease genes were identified using a network pharmacology *** protein interaction network revealed AKT1,TNF-α,IL-6,VEGFA,and TP53 as important *** ontology analysis showed that response to stimulus,molecular function regulator and organelle part were the main functions,and Kyoto Encyclopedia of Genes and Genomes analysis showed that 20 pathways such as AGE-RAGE signaling pathway in diabetic complications and the IL-17 signaling pathway were the main pathways involved in the anti-AP effects of ***-two potential metabolic markers and 13 possible metabolic pathways were identified by metabolomics *** network pharmacological analysis revealed that QJHGD affects four metabolic pathways(tryptophan metabolism;glycolysis and gluconeogenesis metabolism;valine,leucine and isoleucine degradation metabolism;the urea cycle and metabolism of arginine,proline,glutamate,aspartate and asparagine),five metabolites(indole-3-acetate,pyruvate,methylmalonate,L-citrulline,N-acetyl-l-glutamate)and four related targets(AKT1,ALDH2,NOS2,NOS3)to combat *** strong affinity of QJHGD’s interactions with its primary targets was established by molecular docking and molecular dynamics simulations.C

关键词： acute pancreatitis Qingjiehuagong decoction metabolomics network pharmacology

Co/Co_(7)Fe_(3)heterostructures with controllable alloying degree on carbon spheres as bifunctional electrocatalyst forrechargeable zinc-air batteries

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 476-487页

作者： Junkang chen Yongyue Zhuang Yanxin qiao Yu Zhang Aihua Yuan Hu Zhou School of Materials Science and Engineering Jiangsu University of Science and TechnologyZhenjiang 212003China School of Environmental and Chemical Engineering Jiangsu University of Science and TechnologyZhenjiang 212003China

Exploring efficient and nonprecious metal electrocatalysts of oxygen reduction reaction(ORR)and oxygen evolution reaction(OER)is crucial for developing rechargeable zinc-air batteries(ZABs).Herein,an alloying-degree control strategy was employed to fabricate nitrogen-doped carbon sphere(NCS)decorated with dual-phase Co/Co_(7)Fe_(3)heterojunctions(CoFe@NCS).The phase composition of materials has been adjusted by controlling the alloying *** optimal CoFe_(0.08)@NCS electrocatalyst displays a half-wave potential of 0.80 V for ORR and an overpotential of 283 mV at 10 mA·cm^(-2)for OER in an alkaline *** intriguing bifunctional electrocatalytic activity and durability is attributed to the hierarchically porous structure and interfacial electron coupling of highly-active Co_(7)Fe_(3)alloy and metallic Co *** the CoFe_(0.08)@NCS material is used as air-cathode catalyst of rechargeable liquid-state zinc-air battery(ZAB),the device shows a high peak power-density(157 mW·cm^(-2))and maintains a stable voltage gap over 150 h,outperforming those of the benchmark(Pt/C+RuO_(2))-based *** particular,the as-fabricated solid-state flexible ZAB delivers a reliable compatibility under different bending *** work provides a promising strategy to develop metal/alloy-based electrocatalysts for the application in renewable energy conversion technologies.

关键词： bifunctional electrocatalysts oxygen reduction reaction oxygen evolution reaction zinc-air battery metal/alloy carbon sphere

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肠道菌群与肝衰竭微生态调节治疗的研究进展

世界华人消化杂志 2022年第22期30卷 971-977页

作者：陈月桥刘家玲广西中医药大学第一附属医院肝病科广西壮族自治区南宁市530200

人体的肠道菌群复杂多样,众多肠道菌群之间形成了结构及组成复杂的肠道微生态系统.研究表明,肠道微生态系统失衡与肝衰竭的发生、发展密切相关,且肠道微生态失衡程度与肝衰竭严重程度有显著相关性.因此,肠道微生态调节在肝衰竭的治疗及... 详细信息

人体的肠道菌群复杂多样,众多肠道菌群之间形成了结构及组成复杂的肠道微生态系统.研究表明,肠道微生态系统失衡与肝衰竭的发生、发展密切相关,且肠道微生态失衡程度与肝衰竭严重程度有显著相关性.因此,肠道微生态调节在肝衰竭的治疗及改善预后中的重要作用日益凸显.但由于肠道菌群组成及结构的复杂性及其参与肝衰竭发生发展的作用机制尚未十分明确,使其在临床的规范应用受到一定限制,本文就肠道菌群与肝衰竭微生态调节治疗的研究进展进行综述.

关键词：肠道菌群肝衰竭微生态调节

Plasmonic tandem heterojunctions enable high-efficiency charge transfer for broad spectrum photocatalytic hydrogen production

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Journal of Energy Chemistry 2025年第1期100卷 710-720页

作者： Wenxuan chen Xiu-Qing qiao Guo Hui Bojing Sun Dongfang Hou Meidi Wang Xueqian Wu Tao Wu Dong-Sheng Li College of Materials and Chemical Engineering Key Laboratory of Inorganic Nonmetallic Crystalline and Energy Conversion Materials China Three Gorges University Hubei Three Gorges Laboratory College of Chemistry and Materials Science and Guangdong Provincial Key Laboratory of Supramolecular Coordination Chemistry Jinan University

Rational engineering of semiconductor photocatalysts for efficient hydrogen production is of great significance but still challenging,primarily due to the limitations in charge transfer ***,a fascinating plasmonic tandem heterojunction with the hc-CdS/Mo2C@C heterostructure is aimfully prepared for effectively promoting the charge separation kinetics of the CdS photocatalyst via the synergistic strategy of phase junction,Schottky junction,and photothermal *** difference in atomic configuration between cubic-CdS （c-CdS） and hexagonal-CdS （h-CdS） leads to effective charge separation through a typical Ⅱ charge transfer mechanism,and plasmonic Schottky junction further extracts the electrons in the hc-CdS phase junction to realize gradient charge ***,the photothermal effect of Mo2C@C helps to expand the light absorption,accelerate charge transfer kinetics,and reduce the hydrogen evolution energy *** carbon layer provides a fast channel for charge transfer and protects the photocatalyst from *** a result,the optimized hc-CMC photocatalyst exhibits a significantly high photocatalytic H2production activity of 28.63 mmol/g/h and apparent quantum efficiency of 61.8%,surpassing most of the reported *** study provides a feasible strategy to enhance the charge transfer kinetics and photocatalytic activity of CdS by constructing plasmonic tandem heterogeneous junctions.

关键词： Heterojunctions LSPR Photocatalyst Phase junction Schottky junction Photothermal effect

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微孔聚氨酯弹性体力学性能的有限元模拟

高分子学报 2015年第10期25卷 1231-1234页

作者：陈巧悦丁明明黄以能贾玉玺石彤非伊犁师范学院物理科学与技术学院新疆凝聚态相变与微结构实验室伊宁835000 中国科学院长春应用化学研究所高分子物理与化学国家重点实验室长春130022 南京大学物理学院国家固体微结构重点实验室南京210093 山东大学材料液固结构演变与加工教育部重点实验室济南250061

利用COMSOL Multiphysics V4.4多物理场耦合分析软件,构建了微孔聚氨酯弹性体的二维计算模型.不仅计算了控制孔数不变改变孔径引起的孔密度的变化对应力的影响,而且还计算了控制孔径不变改变孔数引起的孔密度的变化对应力的影响.模拟结... 详细信息

利用COMSOL Multiphysics V4.4多物理场耦合分析软件,构建了微孔聚氨酯弹性体的二维计算模型.不仅计算了控制孔数不变改变孔径引起的孔密度的变化对应力的影响,而且还计算了控制孔径不变改变孔数引起的孔密度的变化对应力的影响.模拟结果发现孔密度是影响材料力学性能的重要因素,即当孔密度小于0.4时,应力随孔密度成线性增大,而当孔密度大于0.5时,应力随孔密度成非线性增大,泡孔的增韧作用显著.不仅如此,还发现减小泡孔孔径的波动范围有利于材料力学性能的稳定.

关键词：微孔聚氨酯弹性体力学性能有限元模拟

Unlocking the stable interface in aqueous zinc-ion battery with multifunctional xylose-based electrolyte additives

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Journal of Energy Chemistry 2025年第1期100卷 770-778页

作者： Xiaoqin Li Jian Xiang Lu Qiu Xiaohan chen Yinkun Zhao Yujue Wang Qu yue Taotao Gao Wenlong Liu Dan Xiao Zhaoyu Jin Panpan Li Institute for Advanced Study Chengdu University School of Mechanical Engineering Chengdu University College of Food and Biological Engineering Chengdu University Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of China College of Materials Science and Engineering Sichuan University

The growth of dendrites and the side reactions occurring at the Zn anode pose significant challenges to the commercialization of aqueous Zn-ion batteries（AZIBs）. These challenges arise from the inherent conflict between mass transfer and electrochemical kinetics. In this study, we propose the use of a multifunctional electrolyte additive based on the xylose（Xylo） molecule to address these issues by modulating the solvation structure and electrode/electrolyte interface, thereby stabilizing the Zn anode. The introduction of the additive alters the solvation structure, creating steric hindrance that impedes charge transfer and then reduces electrochemical kinetics. Furthermore, in-situ analyses demonstrate that the reconstructed electrode/electrolyte interface facilitates stable and rapid Zn2+ion migration and suppresses corrosion and hydrogen evolution reactions. As a result, symmetric cells incorporating the Xylo additive exhibit significantly enhanced reversibility during the Zn plating/stripping process, with an impressively long lifespan of up to 1986 h, compared to cells using pure ZnSO4electrolyte. When combined with a polyaniline cathode, the full cells demonstrate improved capacity and long-term cyclic stability. This work offers an effective direction for improving the stability of Zn anode via electrolyte design, as well as highperformance AZIBs.

关键词： Solvation

Superatom-assembled boranes,carboranes,and low-dimensional boron nanomaterials based on aromatic icosahedral B_(12)and C_(2)B_(10)

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Nano Research 2024年第7期17卷 6734-6740页

作者： qiao-qiao Yan Yan-Fang Wei Qiang chen yue-Wen Mu Si-Dian Li Institute of Molecular Science Shanxi UniversityTaiyuan 030006China

Using the experimentally known aromatic icosahedral superatoms I_(h)B_(12)H_(12)2−and D_(5d)1,12-C_(2)B_(10)H_(12)as building blocks and based on extensive density functional theory calculations,we predict herein a series of core–shell superpolyhedral boranes and carboranes in a bottom-up approach,including the high-symmetry Th B_(12)@B_(152)H_(72)2−(2),C2h C_(2)B_(10)@B_(152)H_(72)(3),D_(3d)B_(12)@B_(144)H_(66)(4),I_(h)B_(12)@C_(24)B_(12)0H_(72)2−(6),and D_(5d)C_(2)B_(10)@C_(24)B_(12)0H_(72)(7).More interestingly,the superatom-assembled linear D2h B_(36)H_(32)^(2−)(8),close-packed planar D_(3d)B_(84)H_(60)^(2−)(10),and nearly close-packed core−shell D_(3d)B_(12)@B144H_(6)6(4)can be extended periodically to form the one-dimensional(1D)α-rhombohedral borane nanowire B_(12)H_(10)(Pmmm)(9),two-dimensional(2D)α-rhombohedral monolayer borophane B_(12)H_(6)(P m1)(11),and the experimentally known three-dimensional(3D)α-rhombohedral boron(R m)(12)which can be viewed as an assembly of the monolayer B_(12)H_(6)(11)staggered in vertical direction,setting up a bottom-up strategy to form low-dimensional boron-based nanomaterials from their borane“seeds”via partial or complete *** bonding analyses indicate that the high stability of these nanostructures originates from the spherical aromaticity of their icosahedral B_(12)or C_(2)B_(10)structural units which possess the universal skeleton electronic configuration of 1S21P61D101F8 following the Wade’s n+1 *** infrared(IR)and Raman spectra of the most-concerned neutral B_(12)@B144H_(6)6(4)and C_(2)B_(10)@C_(24)B_(12)0H_(72)(7)are computationally simulated to facilitate their experimental characterizations.

关键词： superatom-assembling bottom-up approach density functional theory superpolyhedral boranes superpolyhedral carboranes borophanes