We propose an ultraviolet perfect ultranarrow band absorber by coating a dielectric grating on the monolayer graphene-dielectric-metal structure. The presents Fano lineshape with quality (Q) factor of 70 and nearly absorption over 99.9% in region, which is ascribed to near field coupling optical dissipation graphene guide mode resonance grating. Structure parameters influence performance are investigated. structure exhibits high sensitivity (S = 150 nm/RIU, S* 48/RIU) figure merit (FOM 50,...

Abstract Efficient control of optical radiation at subwavelength scales plays important roles for various applications. Dielectric nanoparticles or dielectric shells with a large refractive index n ~ 3–4, which are only achievable limited semiconductors, involved in most designs so far to the scattering by overlapping electric and magnetic dipolar modes same magnitude. Here we propose new mechanism based on interplay between quadrupolar resonances different amplitudes, both electric,...

The potential energy curves, dipole moments and transition of the 14 Λ–S states 30 Ω TlBr+ cation were performed using multi-reference configuration interaction method. Davidson correction spin–orbit coupling effects also considered. spectroscopic properties reported at first time. results show that X2Π is ground state A2Σ+ excited state, which are both weakly bound states. all electronically except for 24Π repulsive. phenomenon avoided crossing in occurs region between 30,000 50,000 cm−1....

The two-dimensional (2D) Z-scheme system is an effective design for producing hydrogen via photocatalytic water splitting (PWS). This study established a 2D van der Waals (vdW) SnC/Sc 2 CCl heterojunction PWS....

Recently, techniques involving random patterns have made it possible to control the light trapping of microstructures over broad spectral and angular ranges, which provides a powerful approach for photon management in energy efficiency technologies. Here, we demonstrate simple method create wideband near-unity absorber by introducing dense pattern metal-capped monodispersed dielectric microspheres onto an opaque metal film; works due excitation multiple optical plasmonic resonant modes. To...

Heavy metal ions, which are over-emitted from industrial production, pose a major threat to the ecological environment and human beings. Among present detection technologies, achieving rapid on-site of contaminants remains challenge. Herein, capillaries with three-dimensional (3D) hot spot constructures fabricated achieve repaid ultrasensitive mercury ion (Hg2+) in water based on surface-enhanced Raman scattering (SERS). The 4-mercapto pyridine (4-Mpy) serves as reporter high selectivity,...

We theoretically propose a design of spaser based on spherical hyperbolic metamaterial cavities consisting dielectric core wrapped by several stacks alternating layers metal and dielectric, which can support the multipolar whispering-gallery modes (WGMs) with resonance wavelengths much larger than cavity size. Depending mode order excited WGMs same angular momentum, we show that such are capable strongly confining electric fields within different shell layers. By introducing gains into...

Abstract We theoretically investigate light absorption by a graphene monolayer that is coated on the outside of dielectric-metal core-shell resonators (DMCSRs). demonstrate can be greatly enhanced in such multi-layered architectures as result excitation hybridized bonding plasmon resonance supported DMCSRs. also enhancement easily tuned over wide range from visible to near-infrared, and particularly factor optimally maximized at any selective wavelength, simultaneously varying dielectric...

Feasibility of laser-cooling AlCl molecule is investigated using ab initio quantum chemistry. Potential energy curves, permanent dipole moments, and transition moments for the X(1)Σ(+), a(3)Π, A(1)Π states are studied based on multi-reference configuration interaction plus Davidson corrections (MRCI+Q) method with ACVQZ basis set, spin-orbit coupling effects considered at MRCI+Q level. Highly diagonally distributed Franck-Condon factors (f00 = 0.9988 f11 0.9970) branching ratios (R00 0.9965,...

In this study, the feasibility of laser-cooling BeCl and BeBr molecules is studied using ab initio quantum chemistry. The potential energy curves for X(2)Σ(+), A(2)Π, 2(2)Π electronic states are plotted based on multi-reference configuration interaction plus Davidson corrections (MRCI + Q), spin-orbit coupling (SOC) effects considered at MRCI Q level. calculated spectroscopic parameters agree with experimental data. Highly diagonally distributed Franck-Condon factors determined A(2)Π(ν' = 0)...

Ab initio calculations for three low-lying electronic states (X2Σ+, A2Π, and 22Π) of MgCl MgBr molecules, including spin-orbit coupling, are performed using multi-reference configuration interaction plus Davidson correction method. The involve all-electronic basis sets Douglas–Kroll scalar relativistic correction. Spectroscopic parameters well agree with available theoretical experimental data. Highly diagonally distributed Franck-Condon factors f00 A2Π3/2,1/2 (υ′ = 0) → X2Σ+1/2 (υ″...

Molecular dynamics simulations were applied to study the structural and transport properties, including pair distribution function, structure factor, correlation entropy, self-diffusion coefficient, viscosity, of liquid iron under high temperature pressure conditions. Our calculated results reproduced experimentally determined factors iron, coefficients viscosity agree well with previous simulation results. We show that there is a moderate increase along melting curve up Earth-core pressure....

Fano resonances have been realized in plasmonic systems and found intriguing applications, which, however, precisely controlled symmetry breaking or particular arrangement of multiple constituents is usually involved. Although simple core–shell type architectures composed a spherical dielectric core concentric metallic shell layer proposed as good candidates that support inherent resonances, these theoretical predictions rarely seen any detailed experimental investigation. Here, we report on...

We report on the experimental realization of dielectric-metal core-shell resonators with a nearly perfect metal shell layer by physically depositing onto self-supporting dielectric colloids. Sharp electric and magnetic-based cavity plasmon resonances are experimentally observed, whereas increasing thickness increases their Q-factors while narrowing linewidths. In particular, high Q-factor up to ∼100 correspondingly narrow linewidth down ∼12 nm is obtained at dipolar magnetic resonance....

We present the ab initio study of spin-orbit coupling effects on laser cooling BeI and MgI molecules. Potential energy curves for X(2)Σ(+)(1/2), A(2)Π(1/2,3/2), 2(2)Π(3/2,1/2) states are calculated using multi-reference configuration interaction method plus Davidson corrections. Spectroscopic parameters in excellent agreement with available experimental theoretical values. The A(2)Π(3/2) state is a repulsive state. It an unsuitable scheme A(2)Π(3/2)(υ')← X(2)Σ(+)(1/2) (υ″) transition MgI....

Molecular dynamics simulations are applied to study the transport properties, including self-diffusion coefficient and viscosity, of liquid tantalum molybdenum under high pressure conditions. The temperature dependence coefficient, viscosity pair correlation entropy conditions investigated. Our results show that Arrhenius law well describes coefficients pressure, diffusion activation energy decreases with increasing while increases pressure. is described by 1/T scaling. Furthermore, we find...

We theoretically and experimentally investigated the optical second-harmonic (SH) diffraction from metasurfaces based on gold complementary split-ring resonators (CSRRs). have demonstrated that generated SH currents are mostly parallel to incident polarization asymmetric with respect base of a CSRR, thus allowing us impose phase change π radiation by reversing CSRR's orientation. verified this concept geometry-induced nonlinear designing fabricating metasurface consisting supercells CSRRs...

We theoretically investigate the coupling between molecular excitons and dipolar Fano-like cavity plasmon resonance in two-layered core-shell resonators consisting of a dielectric core with high refractive index thin metal outer shell gapped by low layer containing molecules. demonstrate that associated excitation plasmon, electric fields can be highly localized within gap shell, leading to very small mode volumes. By using three-oscillator temporal coupled model describe proposed...

We report a molecular dynamics study of structural and transport properties liquid nickel under high pressures. Pressure dependencies pair distribution function correlation entropy along the melting line indicate that configuration change lines decreases with increasing pressure. The calculated diffusion coefficients viscosity by using entropy-scaling laws modified parameters ideal are compared those extracted from mean-square displacement or Stokes–Einstein relation. results suggest hold...