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Experimental Realization of Multiple Topological Edge States in a 1D Photonic Lattice
摘要： Topological photonic systems offer light transport that is robust against defects and disorder, promising a new generation of chip-scale photonic devices and facilitating energy-efficient on-chip information routing and processing. However, present quasi one dimensional (1D) designs, such as the Su–Schrieffer–Heeger and Rice–Mele models, support only a limited number of nontrivial phases due to restrictions on dispersion band engineering. Here, a flexible topological photonic lattice on a silicon photonic platform is experimentally demonstrated that realizes multiple topologically nontrivial dispersion bands. By suitably setting the couplings between the 1D waveguides, different lattices can exhibit the transition between multiple different topological phases and allow the independent realization of the corresponding edge states. Heterodyne measurements clearly reveal the ultrafast transport dynamics of the edge states in different phases at a femtosecond scale, validating the designed topological features. The study equips topological models with enriched edge dynamics and considerably expands the scope to engineer unique topological features into photonic, acoustic, and atomic systems.
关键词： multi-topological numbers,topological photonics,topological edge states,ultra-fast heterodyne imaging
更新于2025-09-23 15:23:52
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Edge-dependent reflection and inherited fine structure of higher-order plasmons in graphene nanoribbons
摘要： We investigate higher-order plasmons in graphene nanoribbons, and we present how electronic edge states and wave-function fine structure influence the graphene plasmons. Based on nearest-neighbor tight-binding calculations, we find that a standing-wave model based on nonlocal bulk plasmon dispersion is surprisingly accurate for armchair ribbons of widths even down to a few nanometers, and we determine the corresponding phase shift upon edge reflection and an effective ribbon width. Wider zigzag ribbons exhibit a similar phase shift, whereas the standing-wave model describes few-nanometer zigzag ribbons less satisfactorily, to a large extent because of their edge states. We directly confirm that also the larger broadening of plasmons for zigzag ribbons is due to their edge states. Furthermore, we report a prominent fine structure in the induced charges of the ribbon plasmons, which for armchair ribbons follows the electronic wave-function oscillations induced by intervalley coupling. Interestingly, the wave-function fine structure is also found in our analogous density-functional theory calculations, and both these and tight-binding numerical calculations are explained quite well with analytical Dirac theory for graphene ribbons.
关键词： plasmons,edge states,tight-binding,density-functional theory,Dirac theory,graphene nanoribbons
更新于2025-09-23 15:23:52
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Surface chemical states of gold nanoparticles prepared using the solution-plasma method in a CsCl aqueous solution
摘要： In this study, gold nanoparticles (AuNPs) prepared in a 5 mM CsCl aqueous solution using the solution‐plasma method are characterized via transmission electron microscopy (TEM) and X‐ray photoelectron spectroscopy with synchrotron radiation (SR‐XPS). The particle diameter is measured over the process time via TEM. During the solution‐plasma process, small particles of 2.1 to 2.2‐nm diameter are generated in the CsCl aqueous solution; these particles then enlarge via Ostwald ripening over time until they reach an equilibrium size of ~13 nm after 36 days. In addition, the surface chemical states of the AuNPs are characterized at different depths via SR‐XPS. The SR‐XPS measurements obtained using incident X‐ray energy (hν) of 945.0 eV revealed that Cs─Au, Cl─Au, and Cs─Cl─Au bonds are present 1.2 nm below the surface. The measurements obtained at an incident X‐ray energy of 2515.0 eV showed that Cs─Cl─Au bonding is also present 2.5 nm below the surface, indicating that Cs and Cl strongly interact with Au. The TEM and SR‐XPS measurements revealed that 2 processes occur cyclically during the growth process via Ostwald ripening: (i) the Cs and Cl in the aqueous solution adsorb on the AuNP surface and (ii) Au atoms subsequently bond to the AuNPs surface.
关键词： solution‐plasma method,TEM,gold nanoparticles,XPS,surface chemical states
更新于2025-09-23 15:23:52
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Pairwise nonclassical correlations for superposition of Dicke states via local quantum uncertainty and trace distance discord
摘要： The pairwise nonclassical correlations for two-qubit states, extracted from multi-qubit system with exchange symmetry and parity, are quanti?ed by local quantum uncertainty and trace distance discord. The explicit expressions of local quantum uncertainty and geometric trace distance discord for Dicke states and their superpositions are given. A comparison between the two quantum correlations quanti?ers is discussed.
关键词： Pairwise nonclassical correlations,Trace distance discord,Dicke states,Local quantum uncertainty
更新于2025-09-23 15:23:52
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Hydrogen reduction characteristics of WO3 based on density functional theory
摘要： The ?rst principle theory in DFT (Density Function Theory) was applied to study the hydrogen adsorption on O-terminated and WO-terminated surface of WO3 (0 0 1). The exploration of the two terminated surfaces structure and hydrogen adsorption characteristics was conducted from the micro-structure point of view. The result indicates that energy of O-terminated surface with enriched oxygen is higher than the WO-terminated surface with less oxygen. The chemical adsorption occurs when the distance between hydrogen molecules and surface atom ranged from 0.6 ? to 0.8 ?, while the physical adsorption occurs when the distance was bigger than 0.8 ?. The energy of hydrogen adsorption on O-terminated surface is lower than energy of hydrogen adsorption on WO-terminated surface, the chemical adsorption of hydrogen is easier to happen compare to physical adsorption. The energy of hydrogen adsorption on O1c on O-terminated surface is lower than energy of hydrogen adsorption on O2c on the same surface. The adsorption of hydrogen not only changes the structure of surfaces of WO3 and cause the conducting electrons jumping into valence band and energy declining but also make a part of electrons in orbit 2p of O to jump into orbit 5p of W.
关键词： Hydrogen adsorption,First principle,Density of states,Reduction,WO3
更新于2025-09-23 15:23:52
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Application of polar solvent effects in absorption spectra for determination of lowest electron-excited states of phthalide
摘要： The optical absorption spectra of phthalide in polar (methanol) and nonpolar (n-hexane) solvents are recorded. The electronic phthalide spectrum was calculated by TDDFT B3LYP/6-311+G(d, p) using the polarisable continuum model. Based on an analysis of calculation data and the displacement of absorption bands in a polar solvent, it was established that the absorption bands of phthalide at energies of 3.51 and 3.96 eV correspond to singlet-triplet transitions to the T1 and T2 states, respectively.
关键词： Triplet excited states,Electronic absorption spectra,PCM TDDFT,Solvent effect,Phthalide
更新于2025-09-23 15:23:52
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A 3D metal-organic framework with isophthalic acid linker for photocatalytic properties
摘要： The efficient removal of organic pollutants from wastewater is a hot research topic due to its ecological and environmental importance. Herein, by using the ligand-truncation and functionalization strategy, a Cu(II)-based 3D metal-organic framework [Cu2(L1)?5DMF]n (1) (H4L1 =3,5-di(3,5-dicarboxyphenyl)nitrobenzene), has been designed, prepared and characterized. The single crystal X-ray diffraction results indicates that MOF 1 possess a 3D framework with 1D hexangular channels. The MOF 1 has been used as photocatalyst for the photodegradation of organic dyes viz. methyl violet (MV) and Rhodamine B (Rh B). The photocatalytic results indicated that 1 offered better photocatalysis towards the photodegradation of MV in comparison to Rh B. The probable mechanism for the photocatalytic activity of 1 has been addressed using density of states (DOS) and partial DOS calculations.
关键词： density of states,photocatalysis,Dye,MOF
更新于2025-09-23 15:23:52
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Theoretical study of photoreactions between oxidized pterins and molecular oxygen
摘要： Pterins are low molecular weight heterocyclic compounds that are widely distributed in living organisms, primarily in the form of reduced coenzyme forms. Oxidized pterins are present in the cells for the most part as oxidation products of tetrahydropterins and dihydropterins. Oxidized pterins are known to cause DNA photodamage under UV-irradiation. Photosensitization of oxidized pterins may cause oxidative stress in the human skin depigmentation disorder vitiligo. There have been made attempts to use oxidized pterins as sensitizers in photodynamic therapy (PDT) of cancer. The photoreactions between a set of six pterin compounds and molecular oxygen were explored using density functional theory, a time-dependent formalism for excited states (TD-DFT) and a continuum COSMO model to include the effects of H2O solvation. Both acid and base forms of pterins were taken into consideration. The computed singlet and triplet excitation energies are in agreement with the experimental data. We showed that compounds with the most electronegative lateral substituent (formyl, carboxyl) at C6 position have the highest value of both S0 and T1 state ionization potential. We conclude that pterin molecules do participate in photoreactions with molecular oxygen. Oxidized pterins are able to generate singlet oxygen and may also produce superoxide-anion radicals indirectly through autoionization reactions. Direct electron transfer reactions between pterins and oxygen were also studied.
关键词： TDDFT,DFT,Pterins,Singlet oxygen,Triplet states
更新于2025-09-23 15:23:52
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Magnetic metamorphosis of structurally enriched sol-gel derived SnO2 nanoparticles
摘要： Pure SnO2 and aliovalent substituted polycrystalline Sn0.98?xLa0.02ZnxO2 (x = 0.02, 0.04 and 0.06) samples have been synthesized via sol-gel technique. Rietveld re?nement of X-ray di?raction (XRD) patterns con?rm the single phase tetragonal rutile-type (P mnm 42/) crystalline structure for all the synthesized samples. Crystallite size from XRD analysis is found to decrease from 14 nm to 11 nm as x increases from 0 to 0.06 in Sn0.98?xLa0.02ZnxO2 matrix. Transmission Electron Microscopy further reveals the decrease in average crystallite size from 7 nm for pure SnO2 to 5 nm with increase in Zn2+ concentration in system. Morphological study through Field Emission Scanning Electron Microscopy reveals the agglomeration of nanoparticles on increasing the Zn concentration. The room temperature photoluminescence (PL) measurements mark the change in peak intensity centered around 300–450 nm upon La and Zn co-doping into SnO2 lattice. Deconvolution of PL peak unveil the presence of defects/vacancies and local disorders in (La, Zn) co-doped SnO2 matrix. Further, the magnetic properties have been studied using Vibrating Sample Magnetometer, which envisage the room temperature ferromagnetism (RTFM) in nonmagnetic La3+ and Zn2+ ion modi?ed SnO2. The observed RTFM in (La, Zn) co-doped SnO2 is mainly due to oxygen vacancies which is also supported by PL results.
关键词： Rietveld re?nement,RTFM,SnO2 nanoparticles,Defect states
更新于2025-09-23 15:23:52
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Two-dimensional amorphous heterostructures of Ag/a-WO3- for high-efficiency photocatalytic performance
摘要： Synergistic photocatalysis is an important concept for designing the high-efficiency catalysis for fundamental research and technical applications. In this study a well-defined synergistic photocatalysis system is realized by the 2D amorphous heterostructures (2DAHs) Ag/a-WO3-x, which are constructed by Ag nanoparticles on 2D amorphous tungsten oxide (a-WO3-x) fabricated via supercritical CO2 method. We demonstrate theoretically that the oxygen evolution reactions (OER), characterized by photocurrent response, have been dramatically improved in Ag/a-WO3-x than those of both single a-WO3-x and Ag/WO3 systems. Such an enhanced photoelectrochemical performance attributes to the superposition effect of amorphous effect catalysis and local surface plasmon resonances (LSPR) catalysis. More interestingly, the ab initio density-functional theory calculations reveal that the amorphous effect catalysis ascribes to the unique d-d tail states coupling of both Ag and W atoms in the 2DAHs. Overall, our findings not only propose the prototype of synergistic photocatalysis, but also provide a new methodology to the design of novel catalyst.
关键词： 2D amorphous tungsten oxide,amorphous effect catalysis,synergistic photocatalysis,d-d tail states coupling,2D amorphous heterostructures Ag/a-WO3-x
更新于2025-09-23 15:23:52