Electronic Transitions Research Articles

Ciprofloxacin Metal Complexes–Silica Nanoparticles: Characterization, Spectroscopic Study, DNA Interaction and Biological Activity

Ciprofloxacin (CIPH) was classified as one of the most effective quinolone antibiotics, which is commonly used to cure a wide range of infections resulting from Gram-negative and Gram-positive microorganisms. The complexes which formed due to the interaction of Ni(II), Zn(II), Cu(II), Gd(III) and Sm(III) with ciprofloxacin were characterized by CHN% analysis, conductivity, FTIR, electronic spectra, fluorescence measurements, and magnetic susceptibility, besides studying the complex–DNA interaction. Meanwhile, the molar conductance values (0.001 mol·L−1 in DMSO) revealed the electrolytic behavior of the complexes and could be designated with the A−B+ formula. In addition, the geometry of the compounds was confirmed from the electronic transitions as well as the μeff values as octahedral for all complexes. The postulated formula could be generally assigned as [M(CIP)a(CIPH)b(H2O)c](NO3)(H2O)n(C2H5OH)m. Moreover, the interaction between metal complexes and DNA revealed that the Cu complex had the highest binding constant. Nanotechnology was applied to synthesized compounds using silica nanoparticles (SiNPs), which were prepared using a sol–gel process. The silica nanoparticles were chemically functionalized for binding the ligand and its metal complexes; this enables the as-prepared compounds to enhance their features as a drug delivery platform. Meanwhile, the antimicrobial activity was tested for the free complexes and SiNPs composites. Collectively, Sm complex gave the largest zone of inhibition, while the Cu(II)–SiNPs composite showed the strongest potential to reduce the bacterial activity. Furthermore, the fluorescence data of CIPH, ligand–metal mixture and the effect of silica nanoparticles on them were studied.

State-to-state dynamics and machine learning predictions of inelastic and reactive O(3P) + CO(1∑+) collisions relevant to hypersonic flows.

The state-to-state (STS) inelastic energy transfer and O-atom exchange reaction between O and CO(v), as two fundamental processes in non-equilibrium air flow around spacecraft entering Mars' atmosphere, yield the same products and both make significant contributions to the O + CO(v) → O + CO(v') collisions. The inelastic energy transfer competes with the O-atom exchange reaction. The detailed reaction mechanisms of these two elementary processes and their specific contributions to the CO relaxation process are still unclear. To address these concerns, we performed systematic investigations on the 3A' and 3A″ potential energy surfaces (PESs) of CO2 using quasi-classical trajectory (QCT) calculations. Analysis of the collision mechanisms reveals that inelastic collisions have an apparent PES preference (i.e., they tend to occur on the 3A' PES), while reactive collisions do not. Reactive rates decrease significantly when the total collision energy approaches dissociation energy, which differs from the inelastic process. Inelastic rates are generally lower than the reactive rates below ∼10 000K, except for single quantum jumps, whereas the reverse is observed above ∼10 000K. In addition, by combining QCT with convolutional neural networks, we have established neural network (NN)-STS1 (inelastic) and NN-STS2 (reactive) models to generate all possible STS cross sections. The NN-based models accurately reproduce the results calculated from QCT calculations. In this study, all calculations have been focused on analyzing collisions at the ground rotational level.

Semiclassical approaches to perturbative time-convolution and time-convolutionless quantum master equations for electronic transitions in multistate systems.

Understanding the dynamics of photoinduced processes in complex systems is crucial for the development of advanced energy-conversion materials. In this study, we investigate the nonadiabatic dynamics using time-convolution (TC) and time-convolutionless (TCL) quantum master equations (QMEs) based on treating electronic couplings as perturbation within the framework of multistate harmonic (MSH) models. The MSH model Hamiltonians are mapped from all-atom simulations such that all pairwise reorganization energies are consistently incorporated, leading to a heterogeneous environment that couples to the multiple electronic states differently. Our exploration encompasses the photoinduced charge transfer dynamics in organic photovoltaic carotenoid-porphyrin-C60 triad dissolved in liquid solution and the excitation energy transfer (EET) dynamics in photosynthetic Fenna-Matthews-Olson complexes. By systematically comparing the perturbative TC and TCL QME approaches with exact quantum-mechanical and various semiclassical approximate kernels, we demonstrate their efficacy and accuracy in capturing the essential features of photoinduced dynamics. Our calculations show that TC QMEs generally yield more accurate results than TCL QMEs, especially in EET, although both methods offer versatile approaches adaptable across different systems. In addition, we investigate various semiclassical approximations featuring the Wigner-transformed and classical nuclear densities as well as the governing dynamics during the quantum coherence period, highlighting the trade-off between accuracy and computational cost. This work provides valuable insights into the applicability and performance of TC and TCL QME approaches via the MSH model, offering guidance for realistic applications to condensed-phase systems on the atomistic level.

Boosting persulfate activation through efficient π → π* transition activated by Cu ion anchored porphyrin-based metal–organic framework

Photocatalytic persulfate activation provides a promising approach for the elimination of persistent organic pollutants from water. This has been exemplified in porphyrin-based metal organic frameworks (PMOFs), which however come with ineffective electron transition within the porphyrin ligand. Herein, we present a Cu ion modification strategy capable of boosting electron transition by inducing electron delocalization under visible light. The introduction of Cu ions increased the degradation rate constant of ciprofloxacin (CIP) by nearly 44 times, surpassing most state-of-the-art photocatalysts. The in-situ characterizations and theoretical calculations suggest that π-electron localization constitutes the origin of ineffective electron transition in PMOFs. The introduction of Cu ions induces π-electron delocalization to intensify the π → π* transition, forming electron-rich centers of Cu to lower the energy barrier for O-O bond cleavage. This work offers fundamental insights into the electron transition within PMOFs, upon which the universal strategy is proposed for improved water decontamination performance via persulfate activation.

Structural and Quantum chemical insights into the atomic orbitals of 2-benzoylbenzoic acid: Density functional theory approach

Abstract The present work aims to explore the structural insights and the molecular orbitals associated with 2-benzoylbenzoic acid through density functional theory approach. The geometrical parameters of the optimized structure of 2-benzoylbenzoic acid were obtained at B3LYP/6-311++G basis set. The atomic sites which are prone to electrophilic/nucleophilic attack were identified from molecular electrostatic potential (MEP) surface analysis. The molecular orbitals (lone pair, bonding and anti-bonding) which are favorable to the charge delocalization within the system and stabilize the molecule were studied. Besides, the vibrational assignments of the characteristic group frequencies and coupled modes vibrations were made using Cartesian coordinate displacement analysis. Moreover, the electronic transitions between the filled and unfilled molecular orbitals of 2-benzoylbenzoic acid were investigated.

Exploration of rice husk ash as a green corrosion inhibitor immersed in NH4Cl 7.5 % solution

The study reports the development of a liquid smoke solution of rice husk ash (RHA) as a green corrosion inhibitor in NH4Cl solution in approaching corrosion protection for refinery facilities. The recent utilization of RHA has a partial solution to address the possible chemical to form a filming layer to disconnect bare metal and their environment. This work prepared the RHA solution by condensing the RHA vapor before adding it to various concentrations. The corrosion test of potentiodynamic and electrochemicals intends to discover the inhibitor's corrosion resistance before examining the electronic transition corresponding to the contribution of several functional groups using Ultraviolet Visible (UV–Vis) and Fourier-Transform Infrared Spectroscopy (FTIR). Surface evaluation intends to unveil the nature of the corrosion by utilizing the Scanning Electronic and Atomic Force Microscope. The corrosion test result shows the depression of corrosion rate to 0.120 mmpy with high efficiency beyond 96 % in the addition of 7.5 ppm RHA inhibitor. The greater Nyquist semicircle diameter at high concentrations increases the adsorption of the RHA on the surface of C1018. The electronic transition of n–π* and π –π* shows an extensive contribution of CC, CO, and –OH based on the UV–Vis and FTIR test. The formation of a complex compound of Fe-(NH4Cl-RHA)n blocks the corrosion active sites to reduce the corrosion. This study paves the way for using RHA as an organic compound under NH4Cl conditions, such as in a refinery process facility.

Probing single electrons across 300-mm spin qubit wafers

Building a fault-tolerant quantum computer will require vast numbers of physical qubits. For qubit technologies based on solid-state electronic devices1–3, integrating millions of qubits in a single processor will require device fabrication to reach a scale comparable to that of the modern complementary metal–oxide–semiconductor (CMOS) industry. Equally important, the scale of cryogenic device testing must keep pace to enable efficient device screening and to improve statistical metrics such as qubit yield and voltage variation. Spin qubits1,4,5 based on electrons in Si have shown impressive control fidelities6–9 but have historically been challenged by yield and process variation10–12. Here we present a testing process using a cryogenic 300-mm wafer prober13 to collect high-volume data on the performance of hundreds of industry-manufactured spin qubit devices at 1.6 K. This testing method provides fast feedback to enable optimization of the CMOS-compatible fabrication process, leading to high yield and low process variation. Using this system, we automate measurements of the operating point of spin qubits and investigate the transitions of single electrons across full wafers. We analyse the random variation in single-electron operating voltages and find that the optimized fabrication process leads to low levels of disorder at the 300-mm scale. Together, these results demonstrate the advances that can be achieved through the application of CMOS-industry techniques to the fabrication and measurement of spin qubit devices.

DFT study of rare-earth ferromagnetic spinels HgNd2Z4 (Z = S, Se) for spintronics applications

Spintronic technology and energy applications benefit greatly from the exceptional characteristics of rare-earth-based spinel chalcogenides. Examining the electrical, magnetic and thermoelectric properties of HgNd2Z4 (Z = S, Se) in a systematic manner is essential for the strategic advancement of spin polarized current in a spintronic device. In this recent study, the WIEN2K code was employed to comprehensively analyze these properties. The calculated lattice constants, obtained using the generalized gradient approximation (GGAsol-PBE), closely match experimental findings of the similar family compounds. The examination of the stability of ferromagnetic states in the ground state involves comparing energies between anti-ferromagnetic and ferromagnetic states. Moreover, an assessment of the stability of the cubic phase in both spinels was conducted using analyses of the phonon dispersion curve, formation energy and Born stability criteria. The ductility characteristics were examined through the calculation of Poisson's and Pugh's ratios. Furthermore, details regarding the density of states, spin polarization, exchange coupling and Curie temperature were provided to explore the characteristics associated with ferromagnetism. Potential optoelectronic applications were proposed, leveraging the direct band gaps of 1.4 and 1.0 eV for HgNd2Z4 (Z = S, Se) respectively, within the visible spectrum. Particularly noteworthy is the effective light absorption of HgNd2Se4 in the visible range, characterized by prominent peaks that facilitate the transition of electrons from the valence band (VB) to the conduction band (CB). Additionally, the study extends to thermoelectric characteristics, determining various factors such as Seebeck coefficient (S), figure of merit (ZT), electrical and thermal conductivities of the evaluated spinels.

Improved stability of aluminum surface plasmon resonance sensor by protective gold layer

The surface plasmon resonance (SPR) sensing in the ultraviolet (UV) region, achieved through the optimization of aluminum (Al) film conditions, has attracted attention due to its heightened energy levels and more plentiful molecular electronic transitions compared to the visible region. In this research, the stability of the UV-SPR sensor is improved by applying a protective thin layer of gold (Au) onto the Al film. This reduces spectral alterations observed when the Al film was uncoated in water pre and post flow system measurements. This exploration presents the initial experimental confirmation of the reliability of Al-Au bilayer coatings as SPR sensors in the UV region, highlighting advancements in UV-SPR sensor technology.

Preparation and sensing performance study in ultra-wide temperature range of K3LuF6:Er3+,Yb3+ up-converting luminescent materials with cryolite structure

Cryolite-type materials have advantages of low phonon energy, easy rare-earth ion doping, and stable physicochemical properties, and they are considered ideal matrices for up-converting luminescent materials. In this paper, a series of K3LuF6:Er3+,Yb3+ up-converting materials with cryolite structure were prepared for the first time by high-temperature solid-phase method. The compositions, structures and luminescent properties were systematically characterized by X-ray powder diffractometry (XRD), field emission scanning electron microscopy (SEM) and fluorescence spectroscopy (PL). Under 980 nm excitation, the sample emission spectra mainly consisted of green and red emission bands with peaks at 525, 546 and 662 nm, corresponding to the 2H11/2-4I15/2, 4S3/2-4I15/2 and 4F9/2-4I15/2 electron transitions of Er3+, respectively. In addition, the temperature sensing characteristics of two thermally coupled energy levels (2H2/11 and 4S3/2) were studied based on the fluorescence intensity ratio (FIR) technique in the range of 79–579 K. All the results show that K3LuF6:Er3+/Yb3+ up-converting luminescent materials have excellent temperature sensing performance in the ultra-wide temperature range and have broad application prospects in the field of temperature sensing.

Super long ultraviolet-A persistent luminescence and photo-stimulated luminescence from CaMgGeO4: Bi3+

Here, we have developed a novel ultra long ultraviolet-A afterglow material CaMgGeO4: Bi3+, which shows more than 24 h UVA afterglow emission peaked at 346 nm. The crystal structure shows that the prepared sample is a pure phase with an orthogonal system of Pmnb space group. The composition of valence band and conduction band was analyzed by the density of states, which reveals that the bandgap of the CaMgGeO4 matrix is 3.69 eV. The photoluminescence spectrum of the sample consists of a broadband in the 320–400 nm UVA region, which belongs to the 3P1 → 1S0 electron transition of Bi3+. More importantly, under the excitation of ultraviolet lamp for 3 min, CaMgGeO4: Bi3+ exhibited an UVA ultra long persistent luminescence (LPL) with a duration of more than 24 h, which afterglow emission intensity still reaches 1500 cps and is about 6 times of the background intensity. In addition, the UVA emission of CaMgGeO4: Bi3+ after 13 h day can be repeatedly by short periods of low-energy light sources stimulation. The thermoluminescence analysis indicates that the presence of shallow and deep traps is responsible for excellent UVA-LPL and photo-stimulate luminescence (PSL). The excellent LPL and PSL properties can prompt CaMgGeO4: Bi3+ phosphor to be widely used in the field of photodynamic therapy.

The coupled WO3-AgBr nanocatalyst, part II: Synthesis, characterization, and the boosted photocatalytic activity towards metronidazole in an aqueous solution

The AgBr and WO3 nanoparticles (NPs) were synthesized and coupled, and the coupled AgBr-WO3 binary catalyst, as well as the individual AgBr and WO3 NPs, were then characterized by XRD, FTIR, DRS, and SEM-EDX. XRD results showed the formation of orthorhombic WO3 cubic AgBr crystals. The crystallite sizes of 45, 28, and 45 nm were estimated by the Scherrer formula for the as-prepared AgBr, WO3, and AgBr-WO3 catalysts, respectively. The DRS study estimated band gap energies using both absorption edge wavelengths and the Kubelka-Munk model. The band gap energies of 2.72, 3.06, and 2.92 eV were obtained for the direct electronic transitions of AgBr, WO3, and AgBr-WO3. The ECB (potential position) of AgBr and WO3 were estimated to be 0.01 and 0.52 V, while their EVB values were 2.60 and 3.55 V, respectively. Typical FTIR absorption bands of W‒OH, the W‒O‒W, and AgBr bonds have appeared at 1637 cm−1, 823 (and 766) cm−1, and 1384 cm−1, respectively. The pHpzc of 4 was estimated for the individual and coupled catalysts. In studying the photocatalytic activity of the catalysts in the photodegradation of metronidazole (MNZ) a boosted activity was achieved for the coupled system. This increased activity depends on the maximum AgBr:WO3 mole ratio in a 1:3 mol ratio. Grinding time applied to prepare the coupled catalyst has also varied the photocatalytic activity.

Laser spectroscopy of triply charged 229Th isomer for a nuclear clock.

Thorium-229 (229Th) possesses an optical nuclear transition between the ground state (229gTh) and low-lying isomer (229mTh). A nuclear clock based on this nuclear-transition frequency is expected to surpass existing atomic clocks owing to its insusceptibility to surrounding fields1-5. In contrast to other charge states, triply charged 229Th (229Th3+) is the most suitable for highly accurate nuclear clocks because it has closed electronic transitions that enable laser cooling, laser-induced fluorescence detection and state preparation of ions1,6-8. Although laser spectroscopic studies of 229Th3+ in the nuclear ground state have been performed8, properties of 229mTh3+, including its nuclear decay lifetime that is essential to specify the intrinsic linewidth of the nuclear-clock transition, remain unknown. Here we report the trapping of 229mTh3+ continuously supplied by a 233U source and the determination of nuclear decay half-life of the isolated 229mTh3+ to be through nuclear-state-selective laser spectroscopy. Furthermore, by determining the hyperfine constants of 229mTh3+, we reduced the uncertainty of the sensitivity of the 229Th nuclear clock to variations in the fine-structure constant by a factor of four. These results offer key parameters for the 229Th3+ nuclear clock and its applications in the search for new physics.

Ultra-broadband near-infrared emission of Cr3+-containing oxy-fluoride glass-ceramics

Broadband near-infrared (NIR) light sources cover unique optical wavelengths and are valuable in the fields of bioimaging and photodynamic therapy, night vision lighting and security monitoring. NIR phosphor converted light-emitting diode (NIR pc-LED) devices have attractive features such as tunable emission peak, low cost of production, compact in sizes and high luminous efficiency. However, heat accumulation during operation due to poor thermal conductivity of the organic resin used in packaging often causes serious reduction in luminous efficiency and accelerated degradation of the device. In present work, we developed a Cr3+-doped transparent CaF2-based oxy-fluoride glass-ceramic (GC) that showed a broadband emission of 700∼1400 nm under 470 nm excitation. The emission peaked at ∼880 nm, the full-width at half maximum was about ∼297 nm, and the photoluminescence quantum yield reached ∼31.19 %. The emission was derived from the electronic transition of Cr3+ ions from the 4T2(F) to 4A2(F). Through structural analysis and numerical simulation, we showed that during the heat treatment process, Cr3+ ions were enriched into the CaF2 crystal phase and replaced the Ca2+ in the GC host with occupied the center position of the polyhedrons, which provided a weak crystal field and led to NIR emission. We built NIR pc-LED devices using optimized GC and commercial blue LED chips, and we demonstrated the application of this NIR pc-LED in night-vision lighting. Our approaches to prepare simple and stable inorganic NIR luminous materials sealed in bulk in a transparent CaF2-based oxy-fluoride GC and to construct pc-LED devices could provide new concept to the field and have practical implications to applications in related fields.

Spectroscopic studies of Eu doped CaF2 single crystal

The Eu-doped CaF2 crystal is investigated for potential use in visible-region solid-state lasers. The single-crystal Eu: CaF2 has an FCC crystal structure and belongs to the space group Fm-3 m, as confirmed by single-crystal X-ray diffraction. A Raman shift of 324 cm−1 has been observed in a single crystal of Eu: CaF2. The vibrational mode at low frequency is suitable for minimizing non-radiative emissions and increasing radiative emissions. Eu: CaF2 crystal has two absorption bands, at 399 nm and 415 nm, corresponding to the 7F0→5L6 and 7F0→5D3 transitions, respectively. The strongest absorption peak (399 nm) is associated with the 7F0→5L6 electronic transition. The orange-red emission was observed at 588 nm (5D0→7F1), 612 nm (5D0→7F2), 648 (5D0→7F3), and 685(5D0→7F4) when excited at 399 nm. Measurements of the luminescence intensity ratio (R) between the 5D0→7F2 (electric dipole) transition and the 5D0→7F1 (magnetic dipole) transition predict that Eu3+ ions are situated at the symmetric sites in CaF2. The radiative parameters for the Eu: CaF2 crystal are calculated using the JOES code using the Judd-Ofelt theory. The calculated total radiative transition probability (AR) is 64.54 s−1, and the radiative lifetime (τR) is 15.57 ms. Radiative transition probabilities are 43.41,7.02 and 14.10, and branching ratios are 67.26 %,10.88 % and 21.85 % for 5D0→7F1, 5D0→7F25D0→7F4 transitions respectively.

Red Shift in the Absorption Spectrum of Phototropin LOV1 upon the Formation of a Semiquinone Radical: Reconstructing the Orbital Architecture.

Flavin mononucleotide (FMN) is a ubiquitous blue-light pigment due to its ability to drive one- and two-electron transfer reactions. In both light-oxygen-voltage (LOV) domains of phototropin from the green algae Chlamydomonas reinhardtii, FMN is noncovalently bound. In the LOV1 cysteine-to-serine mutant (C57S), light-induced electron transfer from a nearby tryptophan occurs, and a transient spin-correlated radical pair (SCRP) is formed. Within this photocycle, nuclear hyperpolarization is created by the solid-state photochemically induced dynamic nuclear polarization (photo-CIDNP) effect. In a side reaction, a stable protonated semiquinone radical (FMNH·) forms undergoing a significant bathochromic shift of the first electronic transition from 445 to 591 nm. The incorporation of phototropin LOV1-C57S into an amorphous trehalose matrix, stabilizing the radical, allows for application of various magnetic resonance experiments at ambient temperatures, which are combined with quantum-chemical calculations. As a result, the bathochromic shift of the first absorption band is explained by lifting the degeneracy of the molecular orbital energy levels for electrons with alpha and beta spins in FMNH· due to the additional electron.

Charge density waves tuned by biaxial tensile stress.

The precise arrangement and nature of atoms drive electronic phase transitions in condensed matter. To explore this tenuous link, we developed a true biaxial mechanical deformation device working at cryogenic temperatures, compatible with x-ray diffraction and transport measurements, well adapted to layered samples. Here we show that a slight deformation of TbTe3 can have a dramatic influence on its Charge Density Wave (CDW), with an orientational transition from c to a driven by the a/c parameter, a tiny coexistence region near a = c, and without space group change. The CDW transition temperature Tc displays a linear dependence with while the gap saturates out of the coexistence region. This behaviour is well accounted for within a tight-binding model. Our results question the relationship between gap and Tc in RTe3 systems. This method opens a new route towards the study of coexisting or competing electronic orders in condensed matter.

Microwave-assisted solvothermal synthesis of Eu3+-doped CsY2F7 and RbY2F7 phosphorescent nanoparticles

We synthesized Eu3+-doped CsY2F7 and RbY2F7 nanoparticles (orthorhombic crystal structure, Pnna space group, No. 52) by the microwave-assisted solvothermal technique and investigated the influence of reaction temperature and fluoride ion concentration on the particles’ phase and crystal structure. Fluoride ions were added in excess of the stoichiometric amount to achieve the orthorhombic phase for CsY2F7 and to convert the cubic RbY3F10 to the orthorhombic RbY2F7. Mild synthesis conditions yielded nanoparticles with crystallites ranging in size from 19 to 37 nm and a combination of spherical, rod-like, and hexagonal shapes. Nanoparticles emit a strong orange and red light when excited into the Eu3+5L6 level, which is centered around 390 nm. The strongest emission peak is around 612 nm, which comes from the 5D0→7F2 electronic transitions. Emission intensity dependence on Eu3+ concentration revealed that nanoparticles can be heavily doped with Eu3+, up to 25 % with respect to Y3+. Emission decay measurements provided values of excited state lifetimes of 6.2 ms for the Cs(Y0.75Eu0.25)2F7 and 6.0 ms for the Rb(Y0.75Eu0.25)2F7.

Synergistic effect between p-n heterojunction and oxygen vacancies of Co3O4-C/Fe-MOF for highly sensitive detection of trace atrazine

Atrazine is a type of herbicide widely used in agricultural production, and trace atrazine would cause human hormone disorders and even lead to cancer and cancer-related diseases. There are still significant challenges in the highly sensitive detection of trace atrazine. Herein, a Co3O4-C/Fe-MOF with p-n heterojunction and oxygen vacancies was theoretically predicted, and it had potential interactions with atrazine. Leaf-shaped Co3O4-C/Fe-MOF with p-n heterojunction and oxygen vacancies was in-suit constructed on the surface of foam nickel by self-assembly strategy. The electrochemical detection results showed that the Co3O4-C/Fe-MOF electrochemical sensor achieved ultra-low detection concentration (0.06 pM) and ultra-high detection sensitivity (60.32 μA/pMcm2) within an ultra-wide concentration range (1 pM-5 mM). The Co3O4-C/Fe-MOF electrochemical sensor was successfully applied for the detection of atrazine in real samples. In addition, theoretical calculations and experimental analysis systematically reveal the detection mechanism. The rich oxygen vacancies enhanced the adsorption of atrazine, and the p-n heterojunctions promoted electronic transitions to the material surface and react quickly with atrazine. The synergistic effect between p-n heterojunctions and oxygen vacancies promoted the electrochemical reaction kinetics of atrazine. This study provides a new strategy for designing active composite materials to achieve highly sensitive detection of harmful small molecules.

Study of crystal structure and optical features of single-phase Ba2BiV3O11: Dy3+ nanophosphors for advanced solid-state illuminating applications

Urea-aided solution combustion (SC) method has been employed to generate monoclinic structure-based Dy (III) doped Ba2BiV3O11 nanophosphors. X-ray diffraction (XRD) and the Rietveld refinement techniques confirmed that the developed nanophosphors are crystallized in a monoclinic crystal system with space group as P21/a. The crystallite size was assessed via Scherrer's equation and Williamson-Hall (W–H) plot. SEM and TEM images confirm the agglomerated particle with a non-uniform shape lies in the nano range. An energy dispersive X-ray (EDAX) study is executed to assess various constitute elements and their relative dispersal was analyzed via mapping spectrum. The highly intense emission peak at 577 nm is ascribed to 4F9/2→6H13/2 electronic transition of the Dy3+ ion when energized at 327 nm wavelength. The band gap values for the host matrix and the optimized sample were measured using a DR spectrophotometer. Auzel's model was utilized to establish the values of quantum efficiency (68.21 %), non-radiative rates (597.08 s−1), and intrinsic lifetime (0.7803 ms). Furthermore, PL (photoluminescence) data is exercised to attain chromatic quantities viz. color coordinates (x and y), and correlated color temperature (CCT), which are strongly endorsed for their usage as near UV-based advanced solid-state illuminating devices.