Search Results (411)

Ni-Mo alloy coating has shown exciting potential as a candidate to replace chromium coating. In this paper, Ni-Mo alloy coatings were successfully electrodeposited from a citrate/ammonia bath, and the effect of the bath pH values over a wide range (4–10) on the characteristics and corrosion resistance of Ni-Mo alloy coating was studied in detail. Results show that all the deposited Ni-Mo alloy coatings consist of a crystalline solid-solution Ni(Mo) fcc structure. An increase in bath pH values could facilitate the deposition of Mo, thereby increasing the Mo content and decreasing the crystallite size of Ni-Mo alloy coatings. However, there are subtle gaps between the coarse grains on the surface of the Ni-Mo alloy coating deposited at pH 10. These subtle gaps tend to form between the coarse grains on the surface of the electrodeposited Ni-Mo alloy coating because of the relatively high Mo content, refined grains, and appropriate morphology. The Ni-Mo alloy coating deposited at pH 9 exhibits optimal corrosion resistance, attributed to its lowest corrosion current density i_corr (7.31 × 10⁻⁶ A cm⁻²), the strongest polarization resistance (11.13 kΩ·cm⁻²), and impedance value, which are mainly contributed to by the coating resistance and charge-transfer resistance. Full article

Understanding the influence of solvent environments on the excited-state charge transfer process remains a fundamental question in molecular photophysics and photochemistry. While twisted intramolecular charge transfer (TICT) is crucial in determining fluorescence efficiency and photostability, the combined effects of solvent polarity and hydrogen bonding interactions are still elusive. Here, we employ steady-state and femtosecond transient absorption (fs-TA) spectroscopy with density functional theory (DFT) calculations to investigate the excited-state dynamics of 7-(diethylamino)coumarin-3-carboxylic acid (7-DCCA) in different solvents. Our findings reveal that in highly polar solvents with strong hydrogen-donating and hydrogen-accepting capabilities, 7-DCCA undergoes significant TICT formation, resulting in fluorescence quenching. Conversely, in environments with low polarity or weak hydrogen-bonding interactions, this transformation is largely suppressed. Quantitative correlation analysis utilizing the Kamlet–Taft and Catalán four-parameter models further elucidates the synergistic role of solvent polarity and specific hydrogen-bonding parameters in modulating the steady-state spectral behavior of 7-DCCA. This study provides microscopic insights into solvent–charge transfer interactions and establishes a general framework for enhancing the luminescence efficiency and structural robustness of organic optoelectronic materials through strategic solvent engineering. Full article

Wireless power transfer is gaining attention in medium-to-short-range applications such as 1–3 kW-class UAVs and AGVs due to its safety, reliability, and adaptability to complex environments. The LCC-S topology is widely adopted due to its favorable output characteristics and device voltage-stress distribution. However, under fixed coil parameters and operating frequencies, conventional LCC-S achieves high efficiency only near the optimal equivalent load. When the actual load deviates from this value—especially in heavy-load regions—resonant cavity current increases sharply, voltage gain drops significantly, and overall efficiency deteriorates. To overcome this structural limitation without increasing control complexity or adding active regulation stages, this paper proposes a transformer-assisted LCC-S wireless charging topology based on “equivalent load reconstruction.” First, a unified equivalent circuit is constructed to derive analytical expressions for voltage gain, input impedance, and efficiency under arbitrary coupling coefficients and loads for both the traditional LCC-S and the proposed topology, revealing the mechanism behind efficiency degradation under heavy loads. Building upon this foundation, a high-frequency transformer is introduced, with an efficiency-oriented collaborative design method for its turns ratio and excitation inductance. Furthermore, by integrating simplified copper and iron-loss models, the losses in the resonant cavity and the transformer are decomposed and evaluated. Results demonstrate that when transformer parameters are appropriately selected, the newly introduced transformer losses are significantly smaller than the resonant cavity losses reduced through load reconstruction. The constructed 1 kW, 85 kHz prototype demonstrates that within the 0.5–2.5 Ω load range, the proposed topology achieves efficiency exceeding 88%. Under typical heavy-load conditions, its peak efficiency surpasses that of the conventional LCC-S by approximately 20%. The theoretical analysis, simulation, and experimental results are highly consistent, verifying that the transformer-assisted LCC-S topology and its efficiency-oriented design method can effectively expand the high-efficiency operating range across a wide load spectrum without altering the control strategy. This provides a concise and feasible structural optimization solution for wireless charging systems. Full article

This paper presents a high-efficiency wireless power transfer (WPT) architecture employing a resonant inductive coupling to power smart sensor nodes in remote or sealed environments, where conventional power delivery is unfeasible. The system integrates a photovoltaic (PV) energy source with a step-down DC-DC converter based on the LM2596 buck regulator to adjust the voltage from the PV. The proposed conditioned power system supplies the entire electronic circuit consisting of a PWM modulator based on an NE555, which drives an IR2110 gate driver connected to a Class D power amplifier. The amplifier excites a pair of high-Q resonant coils designed for mid-range inductive coupling. On the receiver side, the inductively coupled AC signal is rectified and regulated through an AC-DC conversion stage to charge a secondary energy storage unit. The design eliminates the need for physical electrical connections, ensuring efficient, contactless energy transfer. The proposed system operates at a resonant frequency of 24.46 kHz and achieves up to 80% transmission efficiency at a distance of 113 mm. The receiver provides a regulated DC output between 4.80 V and 4.97 V, sufficient to power low-consumption smart sensors. Full article

This work provides the first systematic survey of the two–photon properties of 97 natural 9,10–anthraquinones from plants and fungi. A comprehensive computational dataset of two–photon absorption properties calculated using RI–CC2/aug–cc–pVDZ is presented. Single degenerate photon energies required for two–photon excitation span 491.6–1007.9 nm across the five lowest singlet states, with all S₀→S₁ transitions falling within the biological therapeutic window. Remarkably, S₃ state exhibits systematically enhanced TPA efficiency, with 60% of compounds surpassing 1 GM and achieving a mean cross–section of 29.9 GM–substantially higher than S₁ (mean: 7.5 GM). Three compounds demonstrate exceptional performance: cynodontin (73.6 GM, S₂), dermocybin (68.7 GM, S₄), and morindone (50.7 GM, S₃). Orbital analysis reveals that these excitations possess high configurational purity and diagnostics validating the single–reference treatment. The observed spatial separation between hole and particle NTOs, combined with extreme transition dipole anisotropy along the molecular long axis, indicates dipolar charge–transfer enhancement. Comprehensive structure–property analysis establishes that strategic modification may maximise TPA cross–sections. Comparison with aqueous–phase calculations for three compounds reveals non–systematic solvent–induced redistributions of TPA activity across excited states, indicating that gas–phase outcomes serve primarily as internal benchmarks and intrinsic descriptors of structure–property relationships rather than quantitative predictors of photoactivity. Full article

The photochemistry of transition metal complexes has been crucial for the development of many fundamental topics, as well as to pave the way for several important applications. However, in most cases, photoactive transition metal complexes involved precious metals, with luminescent ruthenium polypyridine complexes playing the dominant role. Developing photoactive species based on earth-abundant metals is highly important for fundamental and applicative reasons. Iron is one of the most abundant metals on Earth’s crust, so luminescent iron complexes are highly desired. The recent search for iron complexes with long-lived and luminescent excited states is here presented, including Fe(II) species with metal-to-ligand charge transfer (MLCT) excited states and Fe(III) species with luminescent ligand-to-metal charge transfer (LMCT) states. The excited-state equilibration approach to prolong the luminescence lifetimes of Fe(III) compounds in multichromophoric species is also discussed. This latter approach can increase the possibility of luminescent iron complexes being involved in bimolecular processes as well as in photoinduced electron and energy transfer at interfaces, which is relevant for many applications. Full article

Doping lead-free halide perovskite nanocrystals with trivalent lanthanide ions has emerged as a promising strategy for engineering their optical properties in various photonic applications. Here, we report the design and synthesis of a series of lead-free double halide perovskite (Cs₂Na(In/Y/Gd)Cl₆) nanocrystals co-doped with a pair of different lanthanides (e.g., Tb³⁺, Dy³⁺, and Eu³⁺) as emission centers, and ns² ions (Sb³⁺ or Bi³⁺) as sensitizers. The tunability of the delayed photoluminescence spectral density was achieved through the selective excitation of lanthanide dopants either via ligand-to-metal charge transfer (e.g., Eu³⁺) or via ns² ion s-p transitions (e.g., Dy³⁺ or Tb³⁺). The intensities of the narrow lanthanide f-f emission bands can, therefore, be tuned by modulating the excitation wavelength and/or dopant ratio, allowing for the accurate engineering of the emission color coordinates and spectral density. We also demonstrated time-resolved tuning of the photoluminescence spectral density for the investigated nanocrystal host lattices co-doped with transition-metal (Mn²⁺) and lanthanide ions, owing to a large difference between the decay dynamics for Mn²⁺ d-d and lanthanide f-f transitions. The rational co-doping of double halide perovskite nanocrystals reported in this work provides a new strategy for generating pre-designed multilevel luminescent signatures for protection against counterfeiting. Full article

We report that poly(vinyl alcohol) (PVA) matrices facilitate nanosecond photoinduced electron transfer (PET) from cyanine dyes to CaTiO₃ nanocrystals, yielding distinct radical cation excited-state absorption (ESA) with well-resolved D₀→D₁ and D₁→D₂ transitions. In dye-only PVA films, UV hole-burning produces a minority radical cation population, evidenced by a blue-shifted ESA band mirroring the D₁→D₂ manifold. Kinetic analysis of the ternary PVA–dye–CaTiO₃ system reveals a shared nanosecond decay (τ₂ ≈ 4–7 ns) for both oxide ESA and radical cation transitions, confirming coupled charge-separated states. These results establish orbital-level insight into how polymer matrices regulate PET and radical stabilization, providing a mechanistic foundation for programmable hybrid photonic devices. Full article

This study employs density functional theory (DFT) and time-dependent DFT (TD-DFT) to systematically investigate the ground- and excited-state properties of hybrid systems composed of CdSe quantum dots (QDs) with graphene and boron nitride (BN). Through Multiwfn wavefunction analysis, we calculated the highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO–LUMO) gaps and density of states (DOS), revealing distinct symmetry-dependent electronic characteristics. The HOMO–LUMO gap analysis demonstrates graphene’s superior charge transfer capability compared to BN, attributed to its higher structural symmetry enabling more efficient orbital overlap. DOS analysis further confirms the enhanced electrical conductivity in symmetry-matched graphene hybrids. The independent gradient model (IGM) and reduced density gradient (RDG) analyses reveal fundamentally different interfacial interaction patterns: the graphene hybrid exhibits uniform van der Waals interactions, consistent with its hexagonal symmetry, while the BN system shows heterogeneous interactions with localized hydrogen bonding due to symmetry reduction from heteroatomic composition. Binding energy calculations indicate greater stability in the graphene-based hybrid, reflecting optimal symmetry matching at the interface. UV–Vis spectra analysis shows that graphene dominates the optical response in its hybrid system, maintaining its symmetric spectral characteristics, while CdSe QDs govern the BN hybrid’s absorption. Electrostatic potential distributions remain essentially unchanged post-hybridization, preserving the intrinsic charge symmetry of components. Two-photon absorption (TPA) characterization reveals significant nonlinear optical properties in CdSe QDs, particularly at the first excited state. This work provides the first systematic comparison of charge transfer dynamics in CdSe QDs hybridized with graphene versus BN, demonstrating how material symmetry governs optoelectronic modulation mechanisms. The findings establish symmetry–property relationships that inform the design of low-dimensional hybrid materials for photonic applications. Full article

Nitrogen-fused conjugated heterocycles have attracted growing interest owing to their tunable electronic properties and potential in organic optoelectronics. In this study, two centrosymmetric donor–acceptor-type emitters PP-6F and PPA-3F were designed by incorporating trifluorophenyl and anthracene acceptor units into a pyrrolo[3,2-b]pyrrole (PP) framework. The experimental and theoretical results reveal that subtle modulations in molecular conformation and π-conjugation pathways strongly affect the excited-state characteristics. PP-6F, featuring a nearly coplanar donor–acceptor configuration, exhibits efficient π-electron delocalization and a dominant local excitation (LE) emission with a large oscillator strength. In contrast, the bulky anthracene in PPA-3F increases the donor–acceptor dihedral angle, reduces conjugation coupling, and promotes orbital separation, leading to a hybrid intramolecular charge transfer and local excitation (ICT/LE) excited state. The rigid anthracene framework suppresses structural reorganization and nonradiative decay, allowing PPA-3F to retain a relatively high oscillator strength despite its charge-transfer nature. This work demonstrates that fine-tuning donor–acceptor dihedral angles and conjugation continuity within PP-based systems is an effective strategy for balancing LE and ICT emissions and developing high-efficiency nitrogen-fused organic emitters and scintillators. Full article

Two phenanthroline derivatives, 2-(2,6-diisopropylphenoxy)-9-phenyl-1,10-phenanthroline and 2,9-bis(2,6-diisopropylphenoxy)-1,10-phenanthroline, were synthesized. The unsymmetrical derivative was obtained in high yield through a sequence combining Suzuki coupling and nucleophilic substitution. The crystal structures of both compounds were determined by single-crystal X-ray diffraction and examined by Hirshfeld surface analysis, which outlined the main intermolecular interactions responsible for the packing. The optical properties were studied by UV–Vis absorption and fluorescence spectroscopy in different solvents. The unsymmetrical compound showed stronger intramolecular charge transfer and more pronounced solvatochromism, while the symmetrical analog had a higher fluorescence quantum yield and longer excited-state lifetime. These results demonstrate the role of substitution symmetry in controlling molecular organization and photophysical properties of phenanthroline derivatives, with relevance to sensing and optoelectronic applications. Full article

Donor–π–acceptor (D–π–A) dyes have garnered significant attention due to their unique optical properties and potential applications in various fields, including optoelectronics, chemical sensing and bioimaging. This study presents the design, synthesis, and comprehensive photophysical investigation of a series of ionic dyes incorporating five- and six-membered heterocyclic rings as electron-donating and electron-withdrawing units, respectively. The influence of the dye structure, i.e., (a) the systematically varied heteroatom (NMe, S and O) in donor moiety, (b) benzannulation of the acceptor part and (c) position of the donor vs. acceptor, on the photophysical properties was evaluated by steady-state and time-resolved spectroscopy across solvents of varying polarity. To probe solvatochromic behavior, the Reichardt parameters and the Catalán four-parameter scale, including polarizability (SP), dipolarity (SdP), acidity (SA) and basicity (SB) parameters, were applied. Emission dynamics were further analyzed through time-resolved fluorescence spectroscopy employing multi-exponential decay models to accurately describe fluorescence lifetimes. Time-dependent density functional theory (TDDFT) calculations supported the experimental findings by elucidating electronic structures, charge-transfer character, and dipole moments in the ground and excited states. The experimental results show the introduction of O or S instead of NMe causes substantial hypsochromic shifts in the absorption and emission bands. Benzannulation enhances the photoinduced charge transfer and causes red-shifted absorption spectra to be obtained without deteriorating the emission properties. Hence, by introducing an appropriate modification, it is possible to design materials with tunable photophysical properties for practical applications, e.g., in opto-electronics or sensing. Full article

Materials’ plasmon activity is defined by their electronic structure. Nowadays, the application of plasmonic materials is increasingly determined by the possibilities to control the electronic processes in them. The electronic structure’s design is of particular importance for tuning the plasmon frequency and the excitation of hot electrons, which are important parameters determining the interaction of the nanostructures with the environment. The effective control of these parameters is important for the improvement of the efficiency and sensitivity of various processes, diagnostic methods and technologies in the field of photocatalysis and surface enhancement spectroscopies. This review is focused on the characterization techniques and the approaches for tuning the electronic states of plasmonic media. The diversity of materials and their electronic structure determine the approach for the engineering of the electronic structure. In the case of noble metals, the possibility for tuning the energy for interband transitions from their d band is considered by using intermetallic alloys (between noble metals themselves and with an addition of post-transition metals in them), while in semiconductor materials—the effect of charge transfer is mainly used. Such knowledge is not only essential from a practical point of view, but also contributes to understanding the processes in the field of new materials such as 2D noble metals and intermetallics. Full article

Background: Electrochemical impedance spectroscopy (EIS) is indispensable for disentangling charge-transfer, capacitive, and diffusive phenomena, yet reproducible parameter estimation and objective model selection remain unsettled. Methods: We derive closed-form impedances and analytical Jacobians for seven equivalent-circuit models (Randles, constant-phase element (CPE), and Warburg impedance (ZW) variants), enforce physical bounds, and fit synthetic spectra with 2.5% and 5.0% Gaussian noise using hybrid optimization (Differential Evolution (DE) → Levenberg–Marquardt (LM)). Uncertainty is quantified via non-parametric bootstrap; parsimony is assessed with root-mean-square error (RMSE), Akaike Information Criterion (AIC), and Bayesian Information Criterion (BIC); physical consistency is checked by Kramers–Kronig (KK) diagnostics. Results: Solution resistance ($R_s$) and charge-transfer resistance ($R_{ct}$) are consistently identifiable across noise levels. CPE parameters $(Q,n)$ and diffusion amplitude $\left(\sigma \right)$ exhibit expected collinearity unless the frequency window excites both processes. Randles suffices for ideal interfaces; Randles+CPE lowers AIC when non-ideality and/or higher noise dominate; adding Warburg reproduces the ${45}^{\circ }$ tail and improves likelihood when diffusion is present. The $(R_{ct}+Z_W)\Vert \mathrm{CPE}$ architecture offers the best trade-off when heterogeneity and diffusion coexist. Conclusions: The framework unifies analytical derivations, hybrid optimization, and rigorous statistics to deliver traceable, reproducible EIS analysis and clear applicability domains, reducing subjective model choice. All code, data, and settings are released to enable exact reproduction. Full article

We experimentally investigate the structural, magnetic, transport, and electronic properties of two d⁵ iridate double perovskite materials La₂BIrO₆ (B = Mg, Zn). Notably, despite similar crystallographic structure, the two compounds show distinctly different magnetic behaviors. The M = Mg compound shows an antiferromagnetic-like linear field-dependent isothermal magnetization below its transition temperature, whereas the M = Zn counterpart displays a clear hysteresis loop followed by a noticeable coercive field, indicative of ferromagnetic components arising from a non-collinear Ir spin arrangement. The local structure studies authenticate perceptible M/Ir antisite disorder in both systems, which complicates the magnetic exchange interaction scenario by introducing Ir-O-Ir superexchange pathways in addition to the nominal Ir-O-B-O-Ir super-superexchange interactions expected for an ideally ordered structure. While spin–orbit coupling (SOC) plays a crucial role in establishing insulating behavior for both these compounds, the rotational and tilting distortions of the IrO₆ (and MO₆) octahedral units further lift the ideal cubic symmetry. Finally, by measuring the Ir-L₃ edge resonant inelastic X-ray scattering (RIXS) spectra for both the compounds, giving evidence of spin–orbit-derived low-energy inter-J-state (intra t_2g) transitions (below ~1 eV), the charge transfer (O 2p → Ir 5d), and the crystal field (Ir t_2g → e_g) excitations, we put forward a qualitative argument for the interplay among effective SOC, non-cubic crystal field, and intersite hopping in these two compounds. Full article