Optical Conduction Research Articles

Properties of bismuth based Bi2A3 (A = S, Se, Te) chalcogenides for optoelectronic and thermoelectric applications

Structural, electronic, optical, mechanical, thermoelectric and dielectric properties of binary Bi2A3 (A = S, Se, Te) chalcogenide semiconductors are studied by first-principles approach. Bismuth sulfide (Bi2S3) is found to be structurally stable in orthorhombic structure while bismuth selenide (Bi2Se3) and bismuth telluride (Bi2Te3) are stable in trigonal structure. Calculated mechanical properties reveal that all three Bi2A3 (A = S, Se, Te) compounds fulfil the mechanical stability criteria. Band structure calculations reveal that the Bi2S3 exhibits direct optical band gap (Eg = 1. 58 eV) which lies in the near-infrared (NIR) region, while the calculated Eg of Bi2Se3 and Bi2Te3 are found to be 0.53 eV and 0.35 eV, respectively lying in the far-infrared region. For Bi2S3 and Bi2Se3 compounds, the calculated dielectric properties show strong anisotropic behavior, while negligible anisotropic dielectric behavior is observed for Bi2Te3. Calculated optical properties show that all three Bi2A3 compounds possess high absorption coefficient (> 104 cm−1). For all three Bi2A3 (A = S, Se, Te) compounds, the calculated optical conductivity show prominent peak corresponding to the occurrence of optical conduction at energies 3.36 eV, 2.65 eV and 2.02 eV respectively. Calculated optical results support the results deduced from band structures and density of states spectra. Optical properties and dielectric behavior suggest that the Bi2S3 compound has suitable band gap and has potential to use for photovoltaic applications while Bi2A3 (A = Se, Te) compounds could be used in infrared detectors and other optical devices. Calculated thermal properties reveal that the Bi2A3 (A = S, Se, Te) chalcogenides could be potential materials for thermoelectric applications.

Influence of nature melanin on the structural, linear/nonlinear optical properties and electrical conduction mechanism of PVA/CMC/PPy blended polymers for optoelectronic applications

Polyvinyl alcohol (PVA) and carboxymethyl cellulose (CMC) have been used as polymeric matrices to create polymeric nanocomposite films that contain polypyrrole (PPY) and melanin as fillers. The structure of the PVA/CMC/PPy/x wt % melanin blends was analyzed using the X-ray diffraction technique. The scanning electron microscopy technique was used to investigate the morphologies of the blends. The highest absorbance and reflectance spectra were observed when the melanin content reached 0.25 and 0.2 % wt %, respectively. The smallest direct and indirect optical band gaps are (4.91, 4.44) eV and (4.22, 3.79, 2.34) eV, respectively, achieved when the melanin content was 0.25 wt%. The blend doped with 0.15 wt% PANi yielded the highest refractive index values (1.396 at λ = 600 nm). The optical dielectric constant values of the blends exhibited irregular improvement when the PVA/CMC/PPy blended polymer was filled with varying quantities of melanin. The blend doped with 0.15 wt% melanin exhibits the highest optical conductivity values in the visible range. The blend of PVA/CMC/PPy with a melanin concentration of 0.15 or 0.2 wt% demonstrated the highest nonlinear optical parameters. The blend of PVA/CMC/PPy with a melanin concentration of 0.15 or 0.2 wt% demonstrated the highest nonlinear optical parameter. Based on the observed behavior of the I-V characteristic, the possibility of ohmic conduct ions or space charge limited conduct ions is ruled out in all blends. The charge transport mechanisms that take place in different blends under varying temperatures were examined. These outcomes suggest the opportunity of employing the created blended polymer in capacitive energy storage, optoelectronic devices and photocatalytic application.

Structural, optical and electrical conduction characteristics of PMMA/PVAc/TBAI blended polymers

This study aims to create tetra-n-butylammonium iodide (TBAI) doped poly(methyl methacrylate) (PMMA)/polyvinyl acetate (PVAc) blended polymers for utilize in a diversity of optoelectronic applications. By the casting technique, the films of (PMMA/PVAc/x wt % TBAI) were formed. The structure and morphology characteristics of the blended materials were studied using X-ray diffraction and scanning electron microscopy techniques. The optical transmittance declined to a minimum value when the blend was loaded with 38 wt % TBAI. The blend containing 38 % TBAI exhibits the highest reflectance values in the visible range. The lowest direct optical bandgap energies (4.20 eV) and indirect optical bandgap energies (3.71 eV, 3.13 eV) were achieved when TBAI reached 38 wt%. The addition of TBAI leads to an enhancement of the refractive index values of PMMA/PVAc in the visible spectrum. The effect of TBAI doping amount on the optical dielectric constant, energy loss functions, optical conductivity, nonlinear optical parameters and emitted color of the host blend was explored. The maximum values of the optical dielectric constant and energy loss functions were achieved after the TBAI level reached 38 wt%. The three non-linear optical (NLO) parameters for PMMA/PVAc blended polymers were enhanced as the amount of TBAI increased. An increase in voltage (V) or temperature results in a significant increase in electric current (I). Raising the amount of TBAI doping also caused the electric current to rise irregularly, with the exception of the blend with x = 11 %, where it fell. The samples exhibited the non-ohmic characteristics of the current-voltage (I–V) properties. The conduction mechanism of all blended materials was studied in detail. Finally, the outcomes supported the optical and electric properties studies, which suggested that a range of nanoelectronics applications could make use of the PMMA/PVAc/x weight percent TBAI blended polymers.

Doped SnO2 thin films fabricated at low temperature by atomic layer deposition with a precise incorporation of niobium atoms

Nb-doped SnO2 (NTO) thin films were synthesized by atomic layer deposition technique at low temperature (100 °C). For an efficient incorporation of the Nb atoms, i.e. fine control of their amount and distribution, various supercycle ratios and precursor pulse sequences were explored. The thin film growth process studied by in-situ QCM revealed that the Nb incorporation is highly impacted by the surface nature as well as the amount of species available at the surface. This was confirmed by the actual concentration of the Nb atom incorporated inside the thin film as determined by XPS. Highly transparent thin films which transmit more than 95% of the AM1.5 global solar irradiance over a wide spectral range (300–1000 nm) were obtained. In addition, the Nb atoms influenced the optical band gap, conduction band, and valence band levels. While SnO2 thin film were too resistive, films tuned to conductive nature upon Nb incorporation with controlled concentration. Optimal incorporation level was found to be ⩽1 at.% of Nb, and carrier concentration reached up 2.5 × 1018 cm−3 for the as-deposited thin films. As a result, the high optical transparency accompanied with tuned electrical property of NTO thin films fabricated by ALD at low temperature paves the way for their integration into temperature-sensitive, nanostructured optoelectrical devices.

Interfacial-Assembly-Induced In Situ Transformation from Aligned 1D Nanowires to Quasi-2D Nanofilms.

As the dimensionality of materials generally affects their characteristics, thin films composed of low-dimensional nanomaterials, such as nanowires (NWs) or nanoplates, are of great importance in modern engineering. Among various bottom-up film fabrication strategies, interfacial assembly of nanoscale building blocks holds great promise in constructing large-scale aligned thin films, leading to emergent or enhanced collective properties compared to individual building blocks. As for 1D nanostructures, the interfacial self-assembly causes the morphology orientation, effectively achieving anisotropic electrical, thermal, and optical conduction. However, issues such as defects between each nanoscale building block, crystal orientation, and homogeneity constrain the application of ordered films. The precise control of transdimensional synthesis and the formation mechanism from 1D to 2D are rarely reported. To meet this gap, we introduce an interfacial-assembly-induced interfacial synthesis strategy and successfully synthesize quasi-2D nanofilms via the oriented attachment of 1D NWs on the liquid interface. Theoretical sampling and simulation show that NWs on the liquid interface maintain their lowest interaction energy for the ordered crystal plane (110) orientation and then rearrange and attach to the quasi-2D nanofilm. This quasi-2D nanofilm shows enhanced electric conductivity and unique optical properties compared with its corresponding 1D geometry materials. Uncovering these growth pathways of the 1D-to-2D transition provides opportunities for future material design and synthesis at the interface.

Bandgap engineering of novel Cu-vanadate/g-C3N4 hierarchical nanoflowers for enhanced photodegradation and excellent biosensing capability

Copper vanadate and graphitic carbon nitride (g-C3N4) are pivotal materials in the realm of advanced materials science, owing to their distinctive optical and electronic conductive properties. In the context of environmental photocatalysis and biosensing applications, their synergistic combination holds significant promise. Copper vanadate, renowned for its optical and electronic properties, complements the unique architecture and optical conduction characteristics of g-C3N4. Together, these materials exhibit immense potential for driving advancements in environmental sustainability and diagnostic techniques. In this study, we report the synthesis of copper vanadate (Cu0.261V2O5) and its composite with graphitic carbon nitride. XRD confirms the synthesis of the novel phase, FESEM and TEM analysis reveals hierarchical nanoflowers and UV-Visible spectroscopy divulges the visible light activation of the synthesized material and aids in the calculation of the optical bandgap. Interfacial charge transfer was studied with the help of EIS and Mott-Schottky analysis was employed to reveal the semiconductor type (n or p type) and determine the band edges. The as-prepared material was tested for the photocatalytic removal of methylene blue (MB), followed by the study of reaction kinetics, cyclic stability and active radicals participating in the photocatalysis process. The synthesized heterojunction showed 100 % removal of MB within a tenure of 90 minutes. The results of the experiment revealed that Cu0.261V2O5 decorated with g-C3N4 displays 1.5 and 1.4 times better photocatalytic degradation capability than pure Cu0.261V2O5 and g-C3N4, respectively. Furthermore, the synthesized material was evaluated for electrochemical biosensing of ascorbic acid in PBS (pH 7) analyte using a 3-electrode system. Compared to the pure material, the heterojunctions drew 1.9 times more current and provided near unity correlation (R2). It is evident that Cu0.261V2O5 decorated with g-C3N4 can be implemented for commercial eco-remediation and electrochemical ascorbic acid sensing.

Effect of anion (S−2 & Se−2) replacement on photovoltaic properties in transition metal (Ba-Barium) chalcogenide perovskites

Material scientists have stepped up their search for efficient materials in low-cost, high-stability, nontoxic energy conversion devices. In this paper, emerging materials inspire us to study one of the perovskite chalcogens made from alkaline-earth metals (Barelium). Therefore, we determined some fundamental properties with some application-based properties, which explained their applicability in energy conversion device fabrication by first-principles calculation within the WIEN2K Code. Structure stability has been verified by Birch–Murnaghan fits and thermal stability at different temperatures and pressure ranges is explained by Gibbs function in thermodynamic properties. By using modified Becke–Johnson (mBJ) potential, electronic and optical characteristics of these materials provide insight into their nature: they were revealed to be direct bandgap semiconductors with the calculated values of 1.77[Formula: see text]eV (1.25[Formula: see text]eV) for BaZrS3(BaZrSe3), respectively. Both materials exhibit transparency on low-energy striking photons and demonstrate absorption and optical conduction in the UV region. Both materials exhibit transparency on low-energy striking photons and demonstrate absorption and optical conduction in the UV region. In the thermoelectric parameter, the figure of merit (ZT) is unity at room temperature and decreases up to 0.98 with temperature increment which reveals that these materials will be helpful in thermoelectric devices. As per the application part, we carried out the calculation of the spectroscopic limited maximum efficiency (SLME) and found that efficiency increases from 6.5% to 27.1% (8.1% to 31.9%) for BaZrS3 (BaZrSe3), respectively. The film thickness increased from 100[Formula: see text]nm to 1[Formula: see text][Formula: see text]m at room temperature and then stabilized. This emerging study shows that these materials can be used as an alert substance in energy conversion device fabrications and the proposed outcomes are in good acceptance with the experimental and other theoretical data. As per the optical and thermoelectric parameters of these materials, we infer that both are promising candidates in energy conversion device fabrication.

Physical properties and power conversion efficiency of SrZrX3 (X=S and Se) chalcogenide perovskite solar cell

The search for efficient substances in energy conversion devices, which are low-cost, highly stable, and not hazardous to humanity has intensified among material scientists. Here, we have investigated the chalcogenide-based metal (Sr — strontium) perovskites in the context of developing materials. We have identified the electrical and optical features of these materials using the modified Becke–Johnson potential, revealing information about their nature. With computed values of 2.009[Formula: see text]eV for SrZrS3 and 1.096[Formula: see text]eV for SrZrSe3, respectively, they have shown to be direct bandgap semiconductors. We have also found that both materials exhibit transparency to the striking photon at low energy and demonstrate absorption and optical conduction in the UV region. These materials will be useful in thermoelectric devices because the transport property calculation shows that their figure of merit is unity at both low and high temperatures. In regard to applications, we determined the spectroscopic limited maximum efficiency (SLME) of SrZrS3 (SrZrSe3) and discovered that the efficiency increases from 6.3% to 22.3% (7.9% to 32%) when the film thickness is increased from 100[Formula: see text]nm to 1[Formula: see text][Formula: see text]m at 300[Formula: see text]K, after that it stabilizes. This research shows that these materials ought to be utilized as an alert substance in the design of energy conversion products, and the proposed results are supported by experimental and other theoretical data. We suggest that these substances are strong contenders for use in power conversion equipment depending upon their optical and transport characteristics.

Investigation of Morphology, Optical and Electronic Ac Conduction of the Olivine Manganite Compound: NaMnPO4

AbstractThe evolution of multifunctional materials is an outstanding research area, which aims to improve the versatility of materials according to their broad domains of usage. Focus interest was paid here to the orthophosphate compound, in particular, the olivine NaMnPO4 material. This compound was synthesized by a solid‐state method and investigated using numerous techniques. Primary room‐temperature structural analysis evidences the sample synthesized in the orthorhombic structure and its phase purity. The sample‘s average grain size was calculated to be around 420 nm. Further, the band gap for our material was found to be (Eg=4.4 eV) by optical analysis of UV‐visible spectroscopy, revealing that our compound is a potential candidate for optoelectronic applications. The electrical behavior study‘s main results confirm the ferroelectric character of the sample and support the aim of deepening the knowledge of the material according to its thermally stimulated conduction processes through impedance spectroscopy. Electrical studies revealed the dominant transport processes across various temperature and frequency ranges, leading to the NSPT model. The frequency dependency relates to frequency‐dispersive dielectric spectra, conduction mechanisms, and relaxation phenomena. The obtained results show perspective and suggest that the material under study has a wide range of potential electronic applications.

Investigation of structural, electrical, magnetic, and optical properties of Cu (111) and the impact of Ag adatoms adsorption: A density functional theory study

Our study conducts a comprehensive investigation on the structural, electrical, magnetic and optical properties of pure Cu with a (111) crystallographic orientation, as well as the impact of the adsorption of Ag adatoms on a Cu (111) surface. To perform this analysis, we utilized the full potential linearized augmented plane-wave (FP-LAPW) approach in conjunction with Generalized Gradient Approximations (GGA + U) and the Wien2k simulation software. Specifically, we calculated electrical and optical properties including the band structure, density of states (DOS) for the Cu (111) surface with and without the presence of adsorbed Ag atoms. Based on the observed results, the overlapping of the electronic bands for simple Cu (111) is comparatively less than that of adsorbed Ag/Cu (111) slab, indicating higher conductivity. Moreover, the evolutions are also observed which are mainly due to d orbitals of Cu and Ag for Cu (111) and Cu/Ag (111) respectively. The calculated magnetic optimization and weak diamagnetic magnetic moments shows weak diamagnetism in these materials. The optical properties like Dielectric Function(ε), Refractive index(n), Extinction co-efficient(k), Reflectivity(R), Energy Loss (L), Absorption (α) and Optical conduction (σ) are calculated. Our research examines the importance of band structure calculation in relation to optical properties. We discuss how plasmon-energy plays a crucial role in producing peaks in the energy loss function, with a crystallographic axis of 13.7 eV and 13.6 eV for both Cu (111) and Ag/Cu (111) slab. In addition, we calculated the static dielectric function, absorption coefficient, and refraction values for these materials. Reflectivity spectra for both Cu (111) and Ag/Cu (111) exhibits Infra-red region, indicating good coating materials to reduce heating, for the application of electrical appliances and for optical application like anti-reflecting coating, optical fibers and solar cells.

XRD and UV–Vis studies of cellulose acetate film blended with different concentrations of nano-metal oxide

Molybdenum Trioxide nanoparticle (MoO3-NPs) was introduced to Cellulose acetate (CA) biopolymer with different concentration using casting process by dispersed MoO3-NPs [0.0, 0.25, 0.5 and 1.0 wt%]. Molecular structure of samples has been studied using XRD and UV–Vis. the data shown by X-ray results indicated the amorphous nature of the pure polymer. Some peaks are appeared as a result of the addition of MoO3-NPs which indicate that samples were partially crystallized. The crystallite size of nano-metal oxide was calculated for blended samples by Size–Strain Plot method which was found to increase with increasing the concentration of MoO3. UV–Vis results indicate that there exist two indirect energy band gaps; Onset band gap which observed to decreases from 1.3 eV for pure polymer to 0.78 eV for polymer blended with 1.0 wt% MoO3-NPs and HOMO–LOMO band gap which observed to decrease from 3.23 eV for pure polymer to 2.89 eV for polymer blended with 1.0 wt% MoO3-NPs. This indicate that the addition of nano-metal oxide improve the optical conduction of CA. Urbach energy was observed to increase with increasing MoO3-NPs from 0.27 eV for pure CA to 0.32 eV for 1.0 wt% MoO3-NPs concentration which may be occurred due to the creation localized states at the band gap as a result of the addition of MoO3-Nps.

Synthesis, optical and electrical conduction mechanisms of Tetrametylammonium-nonachlorodiantimonate semi-conductor

Synthesis, optical and electrical conduction mechanisms of Tetrametylammonium-nonachlorodiantimonate semi-conductor

Continuous Flow Synthesis of Yttria‐Stabilized‐Zirconia Nanocrystals in Supercritical Solvothermal Conditions

AbstractThe synthesis of yttria‐stabilized zirconia nanoparticles with a fine control on the chemical composition and the distribution of yttrium cations is of major interest to master the mechanical, optical or ionic conduction properties of the final material. However, a fine control of this chemical homogeneity within the particles, especially above 5 mol.% of yttria (Y2O3), is challenging with conventional synthesis routes. In the present study, for the first time the interest of using supercritical sol–gel like synthesis is demonstrated for the continuous production in a single step of high quality zirconia (ZrO2) nanocrystals of 7 nm stabilized with Y2O3 without post‐treatment. Three compositions are investigated, i.e., 1.5, 3, and 8 mol.% of Y2O3 and in‐depth physico‐ chemical characterizations such as X‐ray diffraction, total X‐ray scattering, High‐resolution electron microscopy, Raman and X‐ray photoelectron spectroscopy are performed to asses and thus prove the successful synthesis of these different compositions while keeping a good chemical homogeneity. This enables to confirm that this original process leads to a unique and fine structural control for such small yttria‐doped zirconia nanocrystals.

Impact of Ca2+, Ce3+ codoping on ZnSnO3-SnO2 heterostructure for dielectric, optoelectronic and solar cell applications

We have successfully prepared a new mixed oxide system of Sn-rich ZTO (ZnSn2O5). The impact of coupling Ca2+ and Ce3+ inside the lattice of ZnSn2O5 on the dielectric, optical, and photoelectric conduction properties was investigated. In this regard, the co-precipitation technique was used to prepare three samples of ZTO, Ca-ZTO, and Ca/Ce-ZTO. The samples have been investigated by X-ray diffractometer (XRD), Fourier transform infrared (FTIR), field emission scanning electron microscope (FESEM), X-ray photoelectron spectrophotometer (XPS), and an energy dispersive X-ray spectrometer (EDS). The XRD pattern detected phases that highly interfere as a heterostructured compound. The pristine ZTO particles demonstrate a mixture of two morphologies, hexagonal and quasi-spherical shapes, with particle size distributions of 0.25–1.5 µm, resulting in significant porosity between these particles. Meanwhile, the particles of Ca/Ce-doped ZTO have a homogenous morphology as spherical shape and exhibit larger density, particle size distribution range of 1–2 µm. The dielectric constant as a function of frequency or wavelength is increased with the applied temperature (32 to 140 °C) for both pure and Ca/Ce-ZTO samples. Clearly, Ca/Ce-ZTO displays higher absorption in visible light and the estimated band gaps of ZTO, Ca-ZTO, and Ca/Ce-ZTO are equal to 1.58,1.56 and 1.48 eV, respectively. The pristine ZTO showed a stronger n-type effect than Ca and Ca/Ce-doped ZTO samples. The shift from n-type to being close to N-P junction by multiple doping induces the application of these heterostructured materials as buffering layers in energy conversion applications like thin film solar cells and light emitting diodes.

Widening the clinical, radiological and genetic spectrum of autosomal recessive ataxia of Charlevoix-Saguenay in Indian patients.

Autosomal recessive spastic ataxia of Charlevoix-Saguenay (ARSACS), classically presenting as a triad of early-onset cerebellar ataxia, lower extremity spasticity and peripheral neuropathy, is caused by mutations in SACS gene which encodes the protein sacsin. To provide new insight into the occurrence of SACS mutations in South India. Patients with three cardinal features of ARSACS-peripheral neuropathy, cerebellar ataxia, and pyramidal tract signs were included. Nine patients were clinically identified and genetically evaluated. Mutation screening of SACS by targeted sequencing of 40 recessive ataxia genes panel by next-generation sequencing was conducted. Additional investigations included magnetic resonance imaging (MRI), fundoscopy, optical coherence tomography (OCT) and nerve conduction studies (NCS). Functional disability was assessed by the Spinocerebellar Degeneration Functional Score. Two hundred and fifteen cerebellar ataxia patients were screened, and 9 patients with cerebellar ataxia with spasticity, peripheral neuropathy and MRI brain characteristics, consistent with a clinical diagnosis of ARSACS were identified, of which 7 patients were identified to have mutation in the SACS gene and are detailed hereafter. Age of presentation ranged from 20 to 55years (29.8 ± 11.9) with a mean disease duration of 12.7years (SD-7.65, range 5-22years). All except one had onset of symptoms in the form of an ataxic gait noticed before 20years of age. Additional features were subnormal intelligence (4/7), slow and hypometric saccades (1/7), seizures (1/7), kyphoscoliosis (1/7) and dysmorphic facies (1/7). SDFS was 3 in 5/7 patients signifying moderate disability with independent ambulation. MRI showed cerebellar atrophy with predominant atrophy of the superior vermis (7/7), horizontal linear T2 hypointensities in the pons(7/7), hyperintensities where lateral pons merges with the middle cerebellar peduncle (MCP) (7/7) well seen in fluid-attenuated inversion recovery (FLAIR) images, thickening of MCP (3/7), symmetric lateral thalamic hyperintensities (6/7), posterior fossa arachnoid cyst (4/7),thinning of posterior mid-body of corpus callosum (7/7), marginal mineralisation of the basal ganglia (7/7), bilateral parietal atrophy (7/7) and thinning of corticospinal tract on diffusion tensor imaging (DTI) (7/7). We identified pathogenic homozygous frameshift mutations in the SACS gene in six patients (including two siblings), while one patient had a heterozygous pathogenic deletion. This is the largest series of genetically confirmed ARSACS patients from India highlighting the clinical, ophthalmological, imaging and genetic features of this cohort.

Synthesis of Copper Nanosheets Coatings onto Glass and Glass/CrSe2 Substrates Using Ion Coating Technique for Terahertz Technology

AbstractIn this study, copper (Cu) nanosheets are utilized as semitransparent conducting optical windows for the fabrication of terahertz band filters based on chromium selenide (CrSe2). The deposition of CrSe2 thin films onto glass substrates is performed via the thermal evaporation technique followed by the application of Cu nanosheets using the ion coating technique. The interaction between Cu windows and CrSe2 films resulted in a slight widening of the energy bandgap and a remarkable reduction in the Urbach tail states from 2.24 to 1.23 eV. Furthermore, the coating of CrSe2 with Cu optical windows led to a decrease in the dielectric constant values of more than 35% and an increase in the terahertz cutoff frequency by more than 70%. The application of Cu windows increased the cutoff frequency to 23 THz. The correlation between electrical and optical conduction in the terahertz band filters is investigated through the utilization of Drude–Lorentz models, revealing that although Cu windows reduced the free carrier density and conductivity, they enhanced drift mobility, resulting in more efficient terahertz filter properties. The calculated optical constants and optical conductivity parameters provided evidence of the suitability of Cu‐coated CrSe2 films for applications in terahertz technology.

First-Principles Insights into Structural, Optoelectronic, and Elastic Properties of Fluoro-Perovskites KXF3 (X = Ru, Os).

The need for new and better semiconductor materials for use in renewable energy devices motivates us to study KRuF3 and KOsF3 fluoride materials. In the present work, we computationally studied these materials and elaborate their varied properties comprehensively with the assistance of density functional theory-based techniques. To find the structural stability of these under-consideration materials, we employed the Birch-Murnaghan fit, while their electronic characteristics were determined with the usage of modified potential of Becke-Johnson. During the study, it became evident from the band-structure results of the KRuF3 and KOsF3 materials that both present an indirect semiconductor nature having the band gap values of 2.1 and 1.7 eV, respectively. For both the studied materials, the three essential elastic constants were determined first, which were further used to evaluate all the mechanical parameters of the studied materials. From the calculated values of Pugh's ratio and Poisson's ratio for the KRuF3 and KOsF3 materials, both were verified to procure the nature of ductility. During the study, we concluded from the results of absorption coefficient and optical conduction in the UV energy range that both the studied materials proved their ability for utilization in the numerous future optoelectronic devices.

Terahertz optoelectronic properties of synthetic single crystal diamond

A systematic investigation is undertaken for studying the optoelectronic properties of single crystal diamond (SCD) grown by microwave plasma chemical vapor deposition (MPCVD). It is indicated that, without intentional doping and surface treatment during the sample growth, the terahertz (THz) optical conduction in SCD is mainly affected by surface H-terminations, -OH-, O- and N-based functional groups. By using THz time-domain spectroscopy (TDS), we measure the transmittance, the complex dielectric constant and optical conductivity σ(ω) of SCD. We find that SCD does not show typical semiconductor characteristics in THz regime, where σ(ω) cannot be described rightly by the conventional Drude formula. Via fitting the real and imaginary parts of σ(ω) to the Drude-Smith formula, the ratio of the average carrier density to the effective electron mass γ = ne/m*, the electronic relaxation time τ and the electronic backscattering or localization factor can be determined optically. The temperature dependence of these parameters is examined. From the temperature dependence of γ, a metallic to semiconductor transition is observed at about T = 10 K. The temperature dependence of τ is mainly induced by electron coupling with acoustic-phonons and there is a significant effect of photon-induced electron backscattering or localization in SCD. This work demonstrates that THz TDS is a powerful technique in studying SCD which contains H-, N- and O-based bonds and has low electron density and high dc resistivity. The results obtained from this study can benefit us to gain an in-depth understanding of SCD and may provide new guidance for the application of SCD as electronic, optical and optoelectronic materials.

Multi-physics simulations and experimental comparisons for the optical and electrical forces acting on a silica nanoparticle trapped by a double-nanohole plasmonic nanopore sensor

Bimodal optical-electrical data generated when a 20 nm diameter silica (SiO2) nanoparticle was trapped by a plasmonic nanopore sensor were simulated using Multiphysics COMSOL and compared with sensor measurements for closely matching experimental parameters. The nanosensor, employed self-induced back action (SIBA) to optically trap nanoparticles in the center of a double nanohole (DNH) structure on top a solid-state nanopores (ssNP). This SIBA actuated nanopore electrophoresis (SANE) sensor enables simultaneous capture of optical and electrical data generated by several underlying forces acting on the trapped SiO2 nanoparticle: plasmonic optical trapping, electroosmosis, electrophoresis, viscous drag, and heat conduction forces. The Multiphysics simulations enabled dissecting the relative contributions of those forces acting on the nanoparticle as a function of its location above and through the sensor's ssNP. Comparisons between simulations and experiments demonstrated qualitative similarities in the optical and electrical time-series data generated as the nanoparticle entered and exited from the SANE sensor. These experimental parameter-matched simulations indicated that the competition between optical and electrical forces shifted the trapping equilibrium position close to the top opening of the ssNP, relative to the optical trapping force maximum that was located several nm above. The experimentally estimated minimum for the optical force needed to trap a SiO2 nanoparticle was consistent with corresponding simulation predictions of optical-electrical force balance. The comparison of Multiphysics simulations with experiments improves our understanding of the interplay between optical and electrical forces as a function of nanoparticle position across this plasmonic nanopore sensor.

Study of brush coating and spin coating on stannic oxide thin film for the electron transport layer in a perovskite solar cell

This work addresses the challenges associated with using brush coating as a cost-effective and rapid method for large-scale deposition instead of applying a spin coating for the large-scale production of solar cells. This study used brush coating and spin coating techniques to coat a 0.1 M precursor solution onto a cleaned glass substrate. Brush coating utilized a fibril brush, followed by thermal annealing at 180 °C for 1 min, while the spin coating was performed at 1000 RPM for 10 s. Compositional analysis was conducted using Electron Diffraction X-ray (EDAX), and structural analysis employed X-ray Diffraction (XRD). The EDAX analysis confirmed the presence of stannic oxide and XRD data indicated a tetragonal crystal structure of SnO 2, matched with standard data. Scanning Electron Microscopy (SEM) examination revealed that the spin-coated film surface morphology was more effective than the brush-coated film. Additionally, the brush-coated sample demonstrated superior morphology and crystallinity compared to previous research. The optical bandgap, conduction band and valence band edge potentials were determined by UV-spectroscopy. The spin-coated sample exhibited values of 4.02, −1.33 and 2.69 eV, respectively, while the brush-coated sample showed values of 3.98, −1.31 and 2.67 eV, respectively. The valence band maximum and conduction band minimum binding energies were determined using the core level binding energy in the XPS spectroscopy data. Overall, brush coating and spin coating exhibited similarities with minor differences. We may infer that the main drawback of this approach lies in the surface morphology, which can be mitigated through careful management of the coating rate and heat treatment.