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Influence of Defect Structures on Intervalley Scattering in Two-dimensional WSe_(2) Revealed by Double-Resonance Raman Spectroscopy
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作者 Yueqing Zhang Yao Zhang Zhen-Chao Dong 《Chinese Journal of Chemical Physics》 2025年第1期25-36,I0055,共13页
Double-resonance Raman(DRR)scattering in two-di-mensional(2D)materials describes the intravalley or intervalley scattering of an electron or a hole excited by incident photons.Although the presence of defects can prov... Double-resonance Raman(DRR)scattering in two-di-mensional(2D)materials describes the intravalley or intervalley scattering of an electron or a hole excited by incident photons.Although the presence of defects can provide additional momentum and influence the scat-tering process involving one or two phonons,only the idealized defects without any structural details are considered in tra-ditional DRR theory.Here,the second-order DRR spectra of WSe_(2) monolayer with different types of defects are calculated involving the combinations of acoustic and optical phonons in the vicinity of K(K')and M points of the Brillouin zone.The electronic band structures are modified due to the presence of defects,and the band unfolding method is adopted to show the bending of valence and conduction bands for the defective WSe_(2) monolayers.The associ-ated phononic band structures also exhibit different changes in phonon dispersion curves,re-sulting in different DRR spectra corresponding to the different types of defects in the WSe_(2) monolayers.For example,the existence of W vacancy in the WSe_(2) monolayer would result in downshifts in vibrational frequencies and asymmetrical broadenings in linewidths for most combination modes due to the dramatic changes in contour shape of electronic valleys at K and K'.Moreover,the scattering from K to Q is found to be forbidden for the two Se vacan-cies because of the elevation of conduction band at the Q point.Our work highlights the role of defect structures in the intervalley scattering and may provide better understanding in the underlying physics of DRR process in 2D materials. 展开更多
关键词 2d materials Tungsten diselenide Intervalley scattering double-resonance Ra-man defect structure Band unfolding
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Two-dimensional bifunctional electrocatalyst(Mo-NiFe-LDH)with multilevel structure for highly efficient overall water splitting 被引量:1
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作者 Bao-Jie Zhang Bin Chang +6 位作者 Shi-Peng Qiu Gang Zhao Xiao Wang Xi-Jin Xu Lan Mu Wen-Bo Liao Xiao-Jing Dong 《Rare Metals》 SCIE EI CAS CSCD 2024年第6期2613-2622,共10页
To effectively address energy challenges,it is crucial to explore efficient and stable bifunctional nonprecious metal catalysts.In this study,a Mo-doped nickeliron layered double hydroxide with flower-cluster architec... To effectively address energy challenges,it is crucial to explore efficient and stable bifunctional nonprecious metal catalysts.In this study,a Mo-doped nickeliron layered double hydroxide with flower-cluster architecture was successfully prepared by a one-step hydrothermal method,which demonstrated a good water splitting performance.After an appropriate amount of Mo doping,some lattice distortions in the material provided reactive sites for the adsorption and conversion of intermediates,thus optimising the charge distribution of the material.Moreover,the multidimensional void structures formed after doping had a larger specific surface area and accelerated the penetration of the electrolyte,which significantly improved the activity of the catalyst in alkaline media.At 10 mA·cm^(-2),the hydrogen and oxygen evolution overpotentials of Mo-doped nickel-iron double hydroxides(Mo-NiFe LDH/NF-0.2)were 167 and 220 mV,respectively,with an excellent durability up to 24 h.When the Mo-NiFe LDH/NF-0,2 catalyst was used as the cathode and anode of an electrolytic cell,the catalyst achieved a current density of 10 mA·cm^(-2)at an applied voltage of 1.643 V.This study provides a novel approach for designing excellent bifunctional electrocatalysts containing nonprecious metals. 展开更多
关键词 Bifunctional electrocatalysts 2d multilevel structure Overall water splitting Mo-doped Ni-Fe LdH
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Structural Mechanisms of Quasi-2D Perovskites for Next-Generation Photovoltaics
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作者 Hyeonseok Lee Taeho Moon +1 位作者 Younghyun Lee Jinhyun Kim 《Nano-Micro Letters》 2025年第6期297-331,共35页
Quasi-two-dimensional(2D)perovskite embodies characteristics of both three-dimensional(3D)and 2D perovskites,achieving the superior external environment stability structure of 2D perovskites alongside the high efficie... Quasi-two-dimensional(2D)perovskite embodies characteristics of both three-dimensional(3D)and 2D perovskites,achieving the superior external environment stability structure of 2D perovskites alongside the high efficiency of 3D perovskites.This effect is realized through critical structural modifications in device fabrication.Typically,perovskites have an octahedral structure,generally ABX3,where an organic ammonium cation(A’)participates in forming the perovskite structure,with A’_(n)(n=1 or 2)sandwiched between A_(n-1)B_(n)X_(3n+1)perovskite layers.Depending on whether A’is a monovalent or divalent cation,2D perovskites are classified into Ruddlesden-Popper perovskite or Dion-Jacobson perovskite,each generating different structures.Although each structure achieves similar effects,they incorporate distinct mechanisms in their formation.And according to these different structures,various properties appear,and additive and optimizing methods to increase the efficiency of 3D perovskites also exist in 2D perovskites.In this review,scientific understanding and engineering perspectives of the quasi-2D perovskite is investigated,and the optimal structure quasi-2D and the device optimization is also discussed to provide the insight in the field. 展开更多
关键词 PEROVSKITE dion-Jacobson RUddLESdEN-POPPER Quantum structure Quasi-2d perovskite
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Insights into the pore structure and hydrocarbon accumulation of lacustrine organic-rich shales
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作者 Xiao-Jiao Pang Gui-Wen Wang +4 位作者 Yong-Jia Zhang Da-Li Yue Hong-Bin Li Li-Chun Kuang Chao-Liu Li 《Petroleum Science》 2025年第3期957-976,共20页
With the development of unconventional hydrocarbon, how to improve the shale oil and gas recovery become urgent. Therefore hydraulic fracturing becomes the key due to the complicated properties of the reservoirs. The ... With the development of unconventional hydrocarbon, how to improve the shale oil and gas recovery become urgent. Therefore hydraulic fracturing becomes the key due to the complicated properties of the reservoirs. The pore structure not only plays an essential role in the formation of complex fracture networks after fracturing but also in resource accumulation mechanism analyses. The lacustrine organicrich shale samples were selected to carry out petrophysical experiments. Scanning Electron Microscopy(SEM) and X-ray Diffraction were performed to elucidate the geology characteristics. MICP, 2D NMR, CT,and N2adsorption were conducted to classify the pore structure types. The contribution of pore structure to oil accumulation and hydrocarbon enrichment was explained through the N2adsorption test on the original and extracted state and 2D NMR. The results show that micropores with diameter less than20 nm are well-developed. The pore structure was divided into three types. Type Ⅰ is characterized by high porosity, lower surface area, and good pore throat connectivity, with free oil existing in large pores,especially lamellation fractures. The dominant nano-pores are spongy organic pores and resources hosted in large pores have been expelled during high thermal evolution. The content of nano-pores(micropores) increases and the pore volume decreases in Type Ⅱ pore structure. In addition, more absorbed oil was enriched. The pore size distribution of type Ⅱ is similar to that of type Ⅰ. However, the maturity and hydrocarbon accumulation is quite different. The oil reserved in large pores was not expelled attributed to the relatively low thermal evolution compared with type Ⅰ. Structural vitrinite was observed through SEM indicating kerogen of type Ⅲ developed in this kind of reservoir while the type of kerogen in pore structure Ⅰ is type Ⅱ. Type Ⅲ pore structure is characterized by the largest surface area,lowest porosity, and almost isolated pores with rarely free oil. Type Ⅰ makes the most contribution to hydrocarbon accumulation and immigration, which shows the best prospect. Of all of these experiments,N2adsorption exhibits the best in characterizing pores in shales due to its high resolution for the assessment of nano-scale pores. MICP and NMR have a better advantage in characterizing pore space of sandstone reservoirs, even tight sandstone reservoirs. 2D NMR plays an essential role in fluid recognition and saturation calculation. CT scanning provides a 3D visualization of reservoir space and directly shows the relationship between pores and throats and the characteristics of fractures. This study hopes to guide experiment selection in pore structure characterization in different reservoirs. This research provides insight into hydrocarbon accumulation of shales and guidance in the exploration and development of unconventional resources, for example for geothermal and CCUS reservoirs. 展开更多
关键词 Shale oil Pore structure Nitrogen adsorption 2d NMR Hydrocarbon accumulation
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Potential and progress of two-dimensional nanomaterials in oil-based lubrication
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作者 Changxing Yang Guxia Wang +1 位作者 Shengwei Guo Jianlin Sun 《Chinese Chemical Letters》 2025年第9期46-55,共10页
Two-dimensional(2D) nanomaterials have always been regarded as having great development potential in the field of oil-based lubrication due to their designable structures,functional groups,and abundant active sites.Ho... Two-dimensional(2D) nanomaterials have always been regarded as having great development potential in the field of oil-based lubrication due to their designable structures,functional groups,and abundant active sites.However,understanding the structure-performance relationship between the chemical structure of 2D nanomaterials and their lubrication performance from a comprehensive perspective is crucial for guiding their future development.This review provides a timely and comprehensive overview of the applications of 2D nanomaterials in oil-based lubrication.First,the bottlenecks and mechanisms of action of 2D nanomaterials are outlined,including adsorption protective films,charge adsorption effects,tribochemical reaction films,interlayer slip,and synergistic effects.On this basis,the review summarizes recent structural regulation strategies for 2D nanomaterials,including doping engineering,surface modification,structural optimization,and interfacial mixing engineering.Then,the focus was on analyzing the structure-performance relationship between the chemical structure of 2D nanomaterials and their lubrication performance.The effects of thickness,number of layers,sheet diameter,interlayer spacing,Moiré patterns,wettability,functional groups,concentration,as well as interfacial compatibility and dispersion behavior of 2D nanomaterials were systematically investigated in oil-based lubrication,with the intrinsic correlations resolved through computational simulations.Finally,the review offers a preliminary summary of the significant challenges and future directions for 2D nanomaterials in oil-based lubrication.This review aims to provide valuable insights and development strategies for the rational design of high-performance oil-based lubrication materials. 展开更多
关键词 2d nanomaterials structural regulation structure-performance relationship Computational simulation Mechanism of action Oil-based lubrication
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Synthesis and Crystal Structure of a Novel Two-dimensional Layered Polymer [Zn(μ-O_2CCH=CHCO_2)(C_3H_4N_2)(H_2O)]_n
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作者 刘庆燕 刘平 +1 位作者 王艰 陈云 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2004年第2期160-163,共4页
The title complex [Zn(-O2CCH=CHCO2)(C3H4N2)(H2O)]n was prepared by the reaction of zinc carbonate with maleic acid and imidazole in an aqueous-alcohol solution at 333 K, and its crystal structure has been solved by si... The title complex [Zn(-O2CCH=CHCO2)(C3H4N2)(H2O)]n was prepared by the reaction of zinc carbonate with maleic acid and imidazole in an aqueous-alcohol solution at 333 K, and its crystal structure has been solved by single-crystal X-ray diffraction. The complex crystallizes in the monoclinic system, space group Pc with a = 5.3858(7), b = 22.685(3), c = 7.6782(1) ? = 92.261(2)o, V = 937.4(2) 3, Z = 1, C14H16N4O10Zn2, Mr = 531.05, Dc = 1.882 g/cm3, = 2.623 mm1, F(000) = 532, the final R = 0.0372 and wR = 0.0930 for 1926 observed reflections with I>2s(I). The central zinc atom is five-coordinated in a distorted square pyramidal environment to three oxygen atoms of two different maleate ligands, a nitrogen atom of the imi- dazole ligand and an oxygen atom of water. In the complex two carboxylate groups of the maleate ligands have two coordination modes. One acts as a bidentate chelate ligand and the other a monoatomic monodentate ligand to bridge two zinc centers. As a result, 1-D infinite polymeric chains are formed, which are linked together by pairs of OH…O hydrogen bonds between the coordination water OH groups and carboxylate oxygen atoms to construct a 2-D layered polymer, and the layer structure is stabilized by p-p stacking of the imidozel ligands. 展开更多
关键词 zinc(Ⅱ) complex MALEATE synthesis crystal structure 2-d layered polymer
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Pressure-driven metallization with significant changes of structural and photoelectric properties in two-dimensional EuSbTe_(3)
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作者 Zhi-Kai Zhu Zhong-Yang Li +14 位作者 Zhen Qin Yi-Ming Wang Dong Wang Xiao-Hui Zeng Fu-Yang Liu Hong-Liang Dong Qing-Yang Hu Ling-Ping Kong Hao-Zhe Liu Wen-Ge Yang Yan-Feng Guo Shuai Yan Xuan Fang Wei He Gang Liu 《Rare Metals》 SCIE EI CAS CSCD 2024年第11期5943-5952,共10页
Two-dimensional materials are widely considered to be highly promising for the development of photodetectors.To improve the performance of these devices,researchers often employ techniques such as defect engineering.H... Two-dimensional materials are widely considered to be highly promising for the development of photodetectors.To improve the performance of these devices,researchers often employ techniques such as defect engineering.Herein,pressure is employed as a clean and novel means to manipulate the structural and physical properties of EuSbTe_(3),an emerging two-dimensional semiconductor.The experimental results demonstrate that the structural phase transformation of EuSbTe_(3)occurs under pressure,with an increase in infrared reflectivity,a band gap closure,and a metallization at pressures.Combined with X-ray diffraction(XRD)and Raman characterizations,it is evident that the pressure-driven transition from semiconductor Pmmn phase to metallic Cmcm phase causes the disappearance of the charge density wave.Furthermore,at a mild pressure,approximately 2 GPa,the maximum photocurrent of EuSbTe_(3)is three times higher than that at ambient condition,suggesting an untapped potential for various practical applications. 展开更多
关键词 PRESSURE Phase transition METALLIZATION PHOTORESPONSE two-dimensional(2d)
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Synthetic Two-dimensional Organic Structures 被引量:2
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作者 Hui Liu Xiao-Nan Kan +3 位作者 Chen-Yu Wu Qing-Yan Pan Zhi-Bo Li Ying-Jie Zhao 《Chinese Journal of Polymer Science》 SCIE CAS CSCD 2018年第4期425-425,426-444,共20页
Synthetic two-dimensional(2 D) polymers have totally different topology structures compared with traditional linear or branched polymers. The peculiar 2 D structures bring superior properties. Although, from linear ... Synthetic two-dimensional(2 D) polymers have totally different topology structures compared with traditional linear or branched polymers. The peculiar 2 D structures bring superior properties. Although, from linear to 2 D polymers, the study of these new materials is still in its infancy, they already show potential applications especially in optoelectronics, membranes, energy storage and catalysis, etc. In this review, we summarize the recent progress of the 2 D materials from three respects:(1) Chemistry—different types of polymerization reactions or supramolecular assembly to construct the 2 D networks were described;(2) Preparation methods—surface science, crystal engineering approaches and solution synthesis were introduced;(3) Functionalization and some early applications. 展开更多
关键词 two-dimensional structures Interracial synthesis 2d crystal Covalent organic frameworks (COFs) Supramolecular assembly
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Two-dimensional laser-induced periodic surface structures formed on crystalline silicon by GHz burst mode femtosecond laser pulses 被引量:5
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作者 Shota Kawabata Shi Bai +2 位作者 Kotaro Obata Godai Miyaji Koji Sugioka 《International Journal of Extreme Manufacturing》 SCIE EI CAS CSCD 2023年第1期212-220,共9页
Femtosecond laser pulses with GHz burst mode that consist of a series of trains of ultrashort laser pulses with a pulse interval of several hundred picoseconds offer distinct features in material processing that canno... Femtosecond laser pulses with GHz burst mode that consist of a series of trains of ultrashort laser pulses with a pulse interval of several hundred picoseconds offer distinct features in material processing that cannot be obtained by the conventional irradiation scheme of femtosecond laser pulses(single-pulse mode).However,most studies using the GHz burst mode femtosecond laser pulses focus on ablation of materials to achieve high-efficiency and high-quality material removal.In this study,we explore the ability of the GHz burst mode femtosecond laser processing to form laser-induced periodic surface structures(LIPSS)on silicon.It is well known that the direction of LIPSS formed by the single-pulse mode with linearly polarized laser pulses is typically perpendicular to the laser polarization direction.In contrast,we find that the GHz burst mode femtosecond laser(wavelength:1030 nm,intra-pulse duration:220 fs,intra-pulse interval time(intra-pulse repetition rate):205 ps(4.88 GHz),burst pulse repetition rate:200 kHz)creates unique two-dimensional(2D)LIPSS.We regard the formation mechanism of 2D LIPSS as the synergetic contribution of the electromagnetic mechanism and the hydrodynamic mechanism.Specifically,generation of hot spots with highly enhanced electric fields by the localized surface plasmon resonance of subsequent pulses in the bursts within the nanogrooves of one-dimensional LIPSS formed by the preceding pulses creates 2D LIPSS.Additionally,hydrodynamic instability including convection flow determines the final structure of 2D LIPSS. 展开更多
关键词 GHz burst laser-induced periodic surface structures(LIPSS) surface nanostructuring 2d nanostructures
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Thermal transport in semiconductor nanostructures, graphene,and related two-dimensional materials 被引量:2
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作者 Alexandr I.Cocemasov Calina I.Isacova Denis L.Nika 《Chinese Physics B》 SCIE EI CAS CSCD 2018年第5期74-82,共9页
We review experimental and theoretical results on thermal transport in semiconductor nanostructures(multilayer thin films, core/shell and segmented nanowires), single-and few-layer graphene, hexagonal boron nitride,... We review experimental and theoretical results on thermal transport in semiconductor nanostructures(multilayer thin films, core/shell and segmented nanowires), single-and few-layer graphene, hexagonal boron nitride, molybdenum disulfide, and black phosphorus. Different possibilities of phonon engineering for optimization of electrical and heat conductions are discussed. The role of the phonon energy spectra modification on the thermal conductivity in semiconductor nanostructures is revealed. The dependence of thermal conductivity in graphene and related two-dimensional(2 D) materials on temperature, flake size, defect concentration, edge roughness, and strain is analyzed. 展开更多
关键词 PHONONS thermal conductivity NANOWIRE GRAPHENE two-dimensional 2d materials
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Interfacial fracture analysis for a two-dimensional decagonal quasi-crystal coating layer structure 被引量:3
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作者 Minghao ZHAO Cuiying FAN +1 位作者 C.S.LU Huayang DANG 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI CSCD 2021年第11期1633-1648,共16页
The interface crack problems in the two-dimensional(2D)decagonal quasicrystal(QC)coating are theoretically and numerically investigated with a displacement discontinuity method.The 2D general solution is obtained base... The interface crack problems in the two-dimensional(2D)decagonal quasicrystal(QC)coating are theoretically and numerically investigated with a displacement discontinuity method.The 2D general solution is obtained based on the potential theory.An analogy method is proposed based on the relationship between the general solutions for 2D decagonal and one-dimensional(1D)hexagonal QCs.According to the analogy method,the fundamental solutions of concentrated point phonon displacement discontinuities are obtained on the interface.By using the superposition principle,the hypersingular boundary integral-differential equations in terms of displacement discontinuities are determined for a line interface crack.Further,Green’s functions are found for uniform displacement discontinuities on a line element.The oscillatory singularity near a crack tip is eliminated by adopting the Gaussian distribution to approximate the delta function.The stress intensity factors(SIFs)with ordinary singularity and the energy release rate(ERR)are derived.Finally,a boundary element method is put forward to investigate the effects of different factors on the fracture. 展开更多
关键词 two-dimensional(2d)decagonal quasi-crystal(QC)coating interface crack analogy method displacement discontinuity stress intensity factor(SIF) energy release rate(ERR)
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Phase engineering two-dimensional nanostructures for electrocatalytic hydrogen evolution reaction 被引量:1
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作者 Zhongshui Li Yang Yue +1 位作者 Junchen Peng Zhimin Luo 《Chinese Chemical Letters》 SCIE CAS CSCD 2023年第1期91-101,共11页
Hydrogen(H2)is considered to be a promising substitute for fossil fuels.Two-dimensional(2D)nanomaterials have exhibited an efficient electrocatalytic capacity to catalyze hydrogen evolution reaction(HER).Particularly,... Hydrogen(H2)is considered to be a promising substitute for fossil fuels.Two-dimensional(2D)nanomaterials have exhibited an efficient electrocatalytic capacity to catalyze hydrogen evolution reaction(HER).Particularly,phase engineering of 2D nanomaterials is opening a novel research direction to endow 2D nanostructures with fascinating properties for deep applications in catalyzing HER.In this review,we briefly summarize the research progress and present the current challenges on phase engineering of 2D nanomaterials for their applications in electrocatalytic HER.Our summary will be of significance to provide fundamental understanding for designing novel 2D nanomaterials with unconventional phases to electrochemically catalyze HER. 展开更多
关键词 two-dimensional nanomaterials Phase engineering Hydrogen evolution reaction Electrocatalysis Transition metal dichalcogenides Metal thiophosphates 2d noble metal nanomaterials
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Highly stable two-dimensional graphene oxide:Electronic properties of its periodic structure and optical properties of its nanostructures 被引量:1
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作者 张琴 张红 程新路 《Chinese Physics B》 SCIE EI CAS CSCD 2018年第2期533-539,共7页
According to first principle simulations, we theoretically predict a type of stable single-layer graphene oxide(C_2O).Using density functional theory(DFT), C_2O is found to be a direct gap semiconductor. In additi... According to first principle simulations, we theoretically predict a type of stable single-layer graphene oxide(C_2O).Using density functional theory(DFT), C_2O is found to be a direct gap semiconductor. In addition, we obtain the absorption spectra of the periodic structure of C_2O, which show optical anisotropy. To study the optical properties of C_2O nanostructures, time-dependent density functional theory(TDDFT) is used. The C_2O nanostructure has a strong absorption near 7 eV when the incident light polarizes along the armchair-edge. Besides, we find that the optical properties can be controlled by the edge configuration and the size of the C_2O nanostructure. With the elongation strain increasing, the range of light absorption becomes wider and there is a red shift of absorption spectrum. 展开更多
关键词 two-dimensional2d materials graphene oxide surface plasmons
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Emerging applicability of two-dimensional boron for energy catalysis 被引量:1
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作者 Dake ZHANG Chengcheng ZHANG +1 位作者 Shenghua WANG Wei SUN 《Journal of Zhejiang University-Science A(Applied Physics & Engineering)》 SCIE EI CAS CSCD 2024年第10期877-888,共12页
Due to their unique physical and chemical properties,two-dimensional(2D)boron nanosheets have received tremendous research attention and demonstrated substantial value in electronic devices,biomedicine,and energy conv... Due to their unique physical and chemical properties,two-dimensional(2D)boron nanosheets have received tremendous research attention and demonstrated substantial value in electronic devices,biomedicine,and energy conversion.In the preparation of boron nanosheets,compared with the bottom-up synthesis predominantly employed for electronics,the top-down synthesis route offers more facile and scalable production.In this mini-review,we mainly discuss the recent advances in the synthesis of boron nanosheets using the top-down strategy and the relevant applications in energy catalysis.Finally,inspired by our recent works on the novel applications of 2D silicon,we put forward prospects for designing boron nanosheets,providing insights into developing viable techniques for high-performance heterogeneous catalysis. 展开更多
关键词 two-dimensional(2d)boron nanosheets Top-down method Catalytic applications
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调节NNU-55(Fe)的d带中心以增强CO_(2)吸附和光催化活性
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作者 杨雪琦 赵俊涛 +3 位作者 叶家伟 周德森 狄廷敏 张军 《物理化学学报》 北大核心 2025年第7期85-94,共10页
光催化二氧化碳(CO_(2))还原已成为一种有效的技术用于将CO_(2)转化为高价值的化学品。金属有机框架(MOFs)材料因其结构可调、比表面积大、催化性能好和光响应性优异等特点而展现出巨大的潜力。本文采用MOF材料NNU-55(Fe)将CO_(2)光催... 光催化二氧化碳(CO_(2))还原已成为一种有效的技术用于将CO_(2)转化为高价值的化学品。金属有机框架(MOFs)材料因其结构可调、比表面积大、催化性能好和光响应性优异等特点而展现出巨大的潜力。本文采用MOF材料NNU-55(Fe)将CO_(2)光催化转化为一氧化碳(CO)。通过改变无机阴离子配体调节金属活性中心(Fe-N_(4))的电子性质,可以轻松调控NNU-55(Fe)MOFs的光催化性能。研究表明,相较于SO_(4)^(2−)和Cl^(−)配位的催化剂,NO_(3)^(−)配位的NNU-55(Fe)展现出更优异的催化性能,在3 h内实现了124μmol·g^(−1)的CO产量。NO−3更强的电子供给能力提升了Fe中心的电子密度,降低了Fe的d带中心,并增强了吸附系统成键轨道的占据,从而提高了CO_(2)的吸附能力和还原活性。本研究通过改变金属位点的无机配体来调节MOFs电子结构和催化活性的策略,为开发高效光催化材料提供了新的思路。 展开更多
关键词 金属有机框架 配位结构 d带中心 CO_(2)吸附 光还原
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Doping-induced magnetic and topological transitions in Mn_(2)X_(2)Te_(5)(X=Bi,Sb)bilayers
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作者 Wei Chen Chuhan Tang +1 位作者 Chao-Fei Liu Mingxing Chen 《Chinese Physics B》 2025年第9期527-533,共7页
We investigate the magnetic and topological properties of Mn_(2)X_(2)Te_(5)(X=Bi,Sb)using first-principles calculations.We find that both Mn_(2)Bi_(2)Te_(5)and Mn_(2)Sb_(2)Te_(5)bilayers exhibit A-type antiferromagnet... We investigate the magnetic and topological properties of Mn_(2)X_(2)Te_(5)(X=Bi,Sb)using first-principles calculations.We find that both Mn_(2)Bi_(2)Te_(5)and Mn_(2)Sb_(2)Te_(5)bilayers exhibit A-type antiferromagnetic order,which can be understood based on the Goodenough-Kanamori-Anderson rules.We further find that an appropriate hole doping can induce a transition from the A-type antiferromagnetic phase to the ferromagnetic phase in these systems,which also experience a transition from a normal insulator to a quantum anomalous Hall phase.Our study thus demonstrates that tunable magnetism and band topology can be achieved in Mn_(2)X_(2)Te_(5),which may be utilized in the design of new functional electronic devices. 展开更多
关键词 two-dimensional(2d)ferromagnetism rst-principles calculations band topology
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Recent progress in flexible sensors based on 2D materials
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作者 Xiang Li Guancheng Wu +1 位作者 Caofeng Pan Rongrong Bao 《Journal of Semiconductors》 2025年第1期130-142,共13页
With the rapid development of the internet of things(IoT)and wearable electronics,the role of flexible sensors is becoming increasingly irreplaceable,due to their ability to process and convert information acquisition... With the rapid development of the internet of things(IoT)and wearable electronics,the role of flexible sensors is becoming increasingly irreplaceable,due to their ability to process and convert information acquisition.Two-dimensional(2D)materials have been widely welcomed by researchers as sensitive layers,which broadens the range and application of flexible sensors due to the advantages of their large specific surface area,tunable energy bands,controllable thickness at the atomic level,stable mechanical properties,and excellent optoelectronic properties.This review focuses on five different types of 2D materials for monitoring pressure,humidity,sound,gas,and so on,to realize the recognition and conversion of human body and environmental signals.Meanwhile,the main problems and possible solutions of flexible sensors based on 2D materials as sensitive layers are summarized. 展开更多
关键词 2d materials flexible sensors layered structure solution method
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基于sp^(2)-碳连接具有D-A结构共价有机框架的构筑及其光催化产双氧水性能研究
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作者 闫生荣 刘文浩 +4 位作者 段芳 陈明清 东为富 陆双龙 杜明亮 《化学学报》 北大核心 2025年第7期685-693,共9页
设计高度共轭和电子给体-受体(D-A)结构是提升共价有机框架(COFs)电荷分离和转移的有效手段.鉴于此,通过Knoevenagel缩合反应构筑了两种sp^(2)-碳连接的BBpy-COF和BBph-COF光催化剂,并系统研究了其光催化产双氧水(H_(2)O_(2))性能.实验... 设计高度共轭和电子给体-受体(D-A)结构是提升共价有机框架(COFs)电荷分离和转移的有效手段.鉴于此,通过Knoevenagel缩合反应构筑了两种sp^(2)-碳连接的BBpy-COF和BBph-COF光催化剂,并系统研究了其光催化产双氧水(H_(2)O_(2))性能.实验结果表明,BBpy-COF光催化H_(2)O_(2)生成速率可达1394.7μmol·g^(-1)·h^(-1),为BBph-COF(656.5μmol·g^(-1)·h^(-1))的2.12倍,其性能提升归因于苯并三噻吩(Btt)电子给体与联吡啶(Bpy)电子受体间的强D-A作用和C=C双键连接的共轭增强效应调控优化了光生载流子的分离效率,最后依靠氧还原反应(ORR)活性位点Bpy,高效通过两步单电子ORR路径实现光催化产H_(2)O_(2).本项工作为合理设计和构筑高效COFs光催化材料提供了一定的参考. 展开更多
关键词 sp^(2)-碳连接 d-A结构 共价有机框架 光催化产双氧水
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Multidimensional data-driven porous media reconstruction:Inversion from 1D/2D pore parameters to 3D real pores
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作者 Peng Chi Jian-Meng Sun +5 位作者 Ran Zhang Wei-Chao Yan Huai-Min Dong Li-Kai Cui Rui-Kang Cui Xin Luo 《Petroleum Science》 2025年第7期2777-2793,共17页
Subsurface rocks,as complex porous media,exhibit multiscale pore structures and intricate physical properties.Digital rock physics technology has become increasingly influential in the study of subsurface rock propert... Subsurface rocks,as complex porous media,exhibit multiscale pore structures and intricate physical properties.Digital rock physics technology has become increasingly influential in the study of subsurface rock properties.Given the multiscale characteristics of rock pore structures,direct three-dimensional imaging at sub-micrometer and nanometer scales is typically infeasible.This study introduces a method for reconstructing porous media using multidimensional data,which combines one-dimensional pore structure parameters with two-dimensional images to reconstruct three-dimensional models.The pore network model(PNM)is stochastically reconstructed using one-dimensional parameters,and a generative adversarial network(GAN)is utilized to equip the PNM with pore morphologies derived from two-dimensional images.The digital rocks generated by this method possess excellent controllability.Using Berea sandstone and Grosmont carbonate samples,we performed digital rock reconstructions based on PNM extracted by the maximum ball algorithm and compared them with stochastically reconstructed PNM.Pore structure parameters,permeability,and formation factors were calculated.The results show that the generated samples exhibit good consistency with real samples in terms of pore morphology,pore structure,and physical properties.Furthermore,our method effectively supplements the micropores not captured in CT images,demonstrating its potential in multiscale carbonate samples.Thus,the proposed reconstruction method is promising for advancing porous media property research. 展开更多
关键词 3d digital rock Pore network model 1d/2d pore parameters Pore structure Generative adversarial network
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Self-assembled ultrathick MoS_(2)conductive hydrogel membrane via ionic gelation for superior capacitive energy storage
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作者 Yayun Shi Congcong Liu +1 位作者 Zhijun Zuo Xiaowei Yang 《Chinese Chemical Letters》 2025年第6期682-687,共6页
Conductive hydrogel membranes with nanofluids channels represent one of the most promising capacitive electrodes due to their rapid kinetics of ion transport.The construction of these unique structures always requires... Conductive hydrogel membranes with nanofluids channels represent one of the most promising capacitive electrodes due to their rapid kinetics of ion transport.The construction of these unique structures always requires new self-assembly behaviors with different building blocks,intriguing phenomena of colloidal chemistry.In this work,by delicately balancing the electrostatic repulsions between 2D inorganic nanosheets and the electrostatic adsorption with cations,we develop a general strategy to fabricate stable free-standing 1T molybdenum disulphide(MoS_(2))hydrogel membranes with abundant fluidic channels.Given the interpenetrating ionic transport network,the MoS_(2)hydrogel membranes exhibit a highlevel capacitive performance 1.34 F/cm^(2)at an ultrahigh mass loading of 11.2 mg/cm^(2).Furthermore,the interlayer spacing of MoS_(2)in the hydrogel membranes can be controlled with angstrom-scale precision using different cations,which can promote further fundamental studies and potential applications of the transition-metal dichalcogenides hydrogel membranes. 展开更多
关键词 Capacitive electrodes Channel structure 2d inorganic nanosheets Ionic transport MoS_(2)hydrogel membranes
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