Abstract Although the first lasers invented operated in visible, on-chip devices were optimized for near-infrared (IR) performance driven by demand telecommunications. However, as applications of integrated photonics has broadened, wavelength well, and we are now returning to visible (Vis) pushing into ultraviolet (UV). This shift required innovations device design materials well leveraging nonlinear behavior reach these wavelengths. review discusses key phenomena that can be used presents...

Numerous studies constantly showed that gold clusters react with O2 only forming molecularly adsorbed products, and the reactions are closely correlated clusters' global electronic properties, such as spins, electron affinities, energy gaps. Combining cluster reaction experiments theoretical calculations, this work shows doped by a silicon atom, AunSi– (n = 3–8 16), in peculiar ways, which influence of doping sites takes precedence over properties. At where atom retains its covalent...

Borylenes have become a heated topic of intense interest due to their fascinating transition‐metal‐mimicking reactivity and role as key intermediates in synthesizing complex boron‐containing molecules. However, the practical utilization borylenes has been limited by instability complicated methodologies. Very recently, metalized based on boron‐metal covalent interactions stabilization strategies involving multicenter bonding proposed. Spectroscopic theoretical evidence substantiated that...

The peculiar size-dependent reactivity of Ag n + ( = 2–22) with O 2 can be attributed to varying HOMO–LUMO gaps clusters, which correlate the subtle interplay between their electronic properties and geometric structures.

A homogeneous randomly distributed microlens array (MLA) and a corresponding micropattern are integrated onto layer of polyester film aiming to give rise special dynamic Glass pattern. Integrating an MLA array, applying small geometrical transformation, it is possible show the parallactic or orthoparallactic motion effect when varying viewing angle. Both numerical simulation experimental results present in this Letter. Such devices can find potential applications precision optical alignment,...

This article introduces a new method for discretizing and solving integral equation formulations of Maxwell's equations, which achieves spectral accuracy smooth surfaces. The approach is based on hybrid Nyström-collocation using Chebyshev polynomials to expand the unknown current densities over curvilinear quadrilateral surface patches. As an example, proposed strategy applied magnetic field (MFIE) N-Müller formulation scattering from metallic dielectric objects, respectively. convergence...

The transition-metal–boron bonding interactions and geometric structures of heterodinuclear transition metal carbonyl cluster cations BM(CO)n+ (M = Co, Ni, Cu) are studied by a combination the infrared photodissociation spectroscopy density functional theory calculations at B3LYP/def2-TZVP level. BCu(CO)5+ BCo(CO)6+ characterized as an (CO)2B–M(CO)3/4+ structure involving σ-type (OC)2B → M(CO)3,4+ dative with end-on carbonyls, while for BNi(CO)5,6+ complexes bridged carbonyl, 3c–2e bond 5σ...

Silver-based materials are reported to have remarkable catalytic activity toward CO oxidation after O2 pretreatment, which less expensive in comparison with conventional catalysts such as gold and platinum. However, the regulatory role of atomic O that is inevitably present on silver surface remains unclear due complicated circumstances condensed phases. Here we investigated clusters doped by a single atom AgnO+ (n = 7–11, 15, 19, 22) experimental mass spectrometry combined ab initio...

We systemically studied adsorption and reactions of NO on Aun- (n≤ 80) using a mini flow-tube reactor running at 150 K. For 11), their with mainly formed cluster complexes containing various numbers units; for (n≥ 12), most active sizes eventually specific Aun(NO)3-. The relative rates the first were measured. Correlations between these adiabatic detachment energies (ADEs) revealed dominant effect clusters' spins more complicated electron transfer mechanism than that O2. Au20- as well...

Reactivities of AgAun-1- (n = 3-10) with O2 at a low temperature were studied using an instrument combining magnetron sputter cluster source, microflow reactor, and time-of-flight mass spectrometer. Their reaction products as well size-dependent kinetic rates nearly identical to those corresponding Aun- 3-10). Previous experiments showed that the Ag atom in was fully or partially enclosed by gold atoms. We adsorption on these reported structures B3LYP theory relatively large basis sets. The...

This paper introduces a high-order accurate surface integral equation method for solving 3D electromagnetic scattering dielectric objects with uniaxially anisotropic permittivity tensors. The N-M\"uller formulation is leveraged resulting in second-kind formulation, and finite-difference-based approach used to deal the strongly singular terms from dyadic Green's functions media while maintaining accuracy of discretization strategy. operators are discretized via Nystr\"om-collocation approach,...

We experimentally explored adsorption and activation of O2 on small anionic clusters AuxOy- containing one to five gold atoms between three oxygen using an instrument including a magnetron sputtering cluster source, micro flow reactor running at low temperature, time-of-flight mass spectrometer. Some species, AuO-, isomer Au2O2-, Au3O-, Au3O3-, Au5O2-, can adsorb molecule. theoretically the structures these active species inert ones appearing in experiment by combining structure search...

This paper introduces an efficient approach for solving the Electric Field Integral Equation (EFIE) with high-order accuracy by explicitly enforcing continuity of impressed current densities across boundaries surface patch discretization. The integral operator involved is discretized via a Nystr\"om-collocation based on Chebyshev polynomial expansion within each and closed quadrature rule utilized such that discretization points inside one coincide those another shared boundary two patches....

We explored the adsorption of O2 on cationic gold clusters by combining cluster reaction experiments and theoretical calculations. Under a mild condition, Au10+ can readily adsorb one molecule forming Au10O2+; Au2+ Au4+ are low-reactive, while argon complexes Au2ArO2+ Au4Ar1,2O2+ easily form; all other sizes inactive. Theoretical calculations indicate that linear or planar structures Aun+ (n=2–7) isomers Au8+ tends to be adsorbed in an end-on manner non-activated, so does large odd with n=9,...

The reactions of Au

Abstract A cationic copper‐stabilized coppoborylene was prepared and structurally characterized via infrared photodissociation spectroscopy density functional theory calculations. This structure exemplifies a new class of borylenes stabilized by three‐center‐two‐electron metal‐boron‐metal covalent bonding interaction, displaying exceptional σ‐acidity unparalleled π‐donor capability for CO activation that outperforms all the known transition metal cations is comparable or even superior to...

A cationic copper-stabilized coppoborylene was prepared and structurally characterized via infrared photodissociation spectroscopy density functional theory calculations. This structure exemplifies a new class of borylenes stabilized by three-center-two-electron metal-boron-metal covalent bonding interaction, displaying exceptional σ-acidity unparalleled π-donor capability for CO activation that outperforms all the known transition metal cations is comparable or even superior to documented...

Borylenes. In their Communication (e202403755), Jin Hu, Xiaopeng Xing and Xuefeng Wang report a coppoborylene stabilized by multicenter covalent bonding its amphoteric reactivity to CO.

An H-matrix accelerated direct solver employing the high-order Chebyshev-based Boundary Integral Equation (CBIE) method has been formulated, tested, and profiled for performance on high contrast dielectric materials electrically large perfect electric conductor objects. The matrix fill of CBIE proves to be fast small moderately sized problems compared its counterparts, e.g. locally corrected Nystr\"om (LCN) method, due way it handles singularities by means a global change variable method....