Applications In Optoelectronic Devices Research Articles

First principle study of structural and optoelectronic properties of ZnLiX3 (X = Cl or F) perovskites

The zinc-based perovskites ZnLiX3 (X = Cl or F) were investigated for their structural, electronic, and optical properties using the WIEN2k package within density functional theory (DFT). Structural properties were calculated using the generalized gradient approximation (GGA), while the modified Becke-Johnson (mBJ) potential was applied for a more accurate description of the optical and electronic properties. Both compounds are confirmed to be stable, crystallizing in the cubic Pm-3 m (No. 221) space group. ZnLiCl3 has an indirect band gap of 0.30 eV between the Γ and M symmetry points, indicating semiconducting behaviour, while ZnLiF3 exhibits an indirect band gap of 5.45 eV, typical of an insulating material. The electronic states contributing to the band structure were analyzed using the total density of states (TDOS) and partial density of states (PDOS). Optical properties, evaluated in the energy range of 0–14 eV, reveal strong optical conductivity and absorption at higher energies, while both materials show transparency to lower-energy photons. These findings suggest that ZnLiCl3 and ZnLiF3 are suitable candidates for high-frequency UV optoelectronic device applications.

Photodual-Responsive Anthracene-Based 2D Covalent Organic Framework for Optoelectronic Synaptic Devices.

To facilitate the development of efficient neuromorphic perception and computation, it is crucial to explore optoelectronic synaptic devices that integrate perceptual and computational capabilities. Various materials such as oxide semiconductors, conjugated organic polymers, transition metal sulfides, perovskite materials, and metal nanoparticles, along with their composites, are utilized in constructing these devices. However, optoelectronic synaptic devices based on 2D covalent organic frameworks (COFs) is rarely reported. In this study, an anthracene-based 2D COF (COF-DaTp) film is prepared using a room-temperature interface-confined strategy and utilized it as the active layer in an optoelectronic synaptic device with an Al/COF-DaTp/ITO configuration. The device demonstrated dual optoelectronic modulation, exhibiting significant optoelectronic resistive switching in response to light pulses, achieving 32 photoconductive states. Moreover, it exhibited history-dependent memristive behavior in voltage scans and electrical pulses, with a comparable diversity of 32 conductive states. The photodual-responsive properties of the COF-DaTp-based synaptic device enable it to simultaneously perform optical sensing and basic image denoising and recognition tasks, significantly enhancing recognition accuracy and reducing the number of training epochs compared to datasets without noise mitigation. This work opens the door for the application of 2D COF-based optoelectronic synaptic devices in visual computational processing.

Impact of Metal Deposition on the Optical and Interface Properties of NiO: Growth and Characterization of NiO/Metal Thin Bilayer Films

Abstract Since transparent conductive oxides (TCOs) provide electrical conductivity together with optical transparency, they have found wide applications in optoelectronic devices and photovoltaics. Among the TCOs, nickel oxide (NiO) is challenging due to its inherent trade-off between transparency and electrical conductivity. To address this challenge, one effective approach is to deposit a metal layer onto NiO thin films. In this work, NiO, NiO/Au, NiO/Ag, and NiO/Cu thin films are prepared by sputtering and thermal evaporation technique on glass substrates and fully characterized finding the proper film for optoelectronic applications. The electrical and optical properties of the fabricated films are examined by four-point probe measurements and optical spectrometry. According to the obtained results, the NiO/Au, NiO/Ag, and NiO/Cu bilayers show sheet resistance of 200, 338, and 925 Ω / sq respectively while their optical bandgaps vary from 3.2 to 3.76 eV. These findings provide valuable insights into the perfor-mance of these films, making them potentially viable choices for various optoelectronic applications.

Impact of Pre-Silica-Coating on the Luminescence Properties of Silica-Coated Indium Phosphide Nanoparticles

This study examined the impact of silica-coating on the luminescence characteristics of indium phosphide (InP) nanoparticles. Silica-coated InP nanoparticles were prepared using three different techniques. The first method utilized tetraethoxysilane (TEOS) as the silica source, resulting in the encapsulation of multiple InP nanoparticles within silica spheres. This approach caused a red-shift in the luminescence peak wavelength of the InP colloidal solution post-TEOS coating, compared to the original InP colloidal solution. Conversely, the second method employed tetramethoxysilane (TMOS), resulting in the formation of irregularly shaped silica-coatings on multiple InP nanoparticles, which reduced the red-shift in the luminescence peak wavelength of the silica-coated InP colloidal solution. The third method involved pre-coating InP nanoparticles with TMOS, followed by thickening the silica shells using TEOS. This technique successfully encapsulated multiple InP nanoparticles within silica spheres, maintaining the luminescence peak wavelength of the InP colloid solution post-coating with TMOS and TEOS nearly identical to that of the original solution. This method merged the advantageous outcomes of the first two methods. Additionally, silica spheres containing InP nanoparticles synthesized using both TMOS and TEOS exhibited the highest luminescence intensity. In summary, this study introduces a novel approach in nanoparticle engineering, enhancing the functional properties of InP nanoparticles and expanding their potential applications in optoelectronic devices.

First-principles studies of strain-tunable InN monolayer: Applications for switching and optoelectronic devices

Abstract Two-dimensional (2D) materials are attracting significant attention for their potential applications in the post-Moore era. In this work, we systematically investigate the effect of strains on the electronic structure, transport and optoelectronic properties of 2D indium nitride (InN) monolayer using density functional theory and non-equilibrium Green’s function methods. The results show that strains can modulate the electronic properties. Specifically, biaxial strain triggers the transition from semiconductor to metal and indirect to direct band gap. On this basis, the constructed InN-based nanodevice exhibits current switching ratios up to 10^10. In addition, the optoelectronic device based on InN monolayer exhibits a robust photoelectric response in the red light. Meanwhile, biaxial strain can improve the optoelectronic performance of InN-based optoelectronic devices. The compressive strains blue-shift the photocurrent peaks of the InN monolayer, which effectively modulates its detection range in the visible light region. These findings underscore the potential applications in nanotechnology, particularly in nano-switches and optoelectronic devices.

A comparative analysis of optical and electrical properties of pure CuO and Zn doped CuO nanoparticles for optoelectronic device applications

A comparative analysis of optical and electrical properties of pure CuO and Zn doped CuO nanoparticles for optoelectronic device applications

Facile fabrication of hemicrystalline bio-based polycarbonate with superhydrophobic and high transmittance

Developing materials that combine superhydrophobic properties with high optical transmittance poses a significant challenge. In this study, hydroxyl-terminated polydimethylsiloxane (HT-PDMS) and isosorbide (ISB) were polymerized in a single step to create a covalently bonded optical polycarbonate material. By inducing the formation of micro-papillary and lotus-shaped nanoscale structures via a solvent-triggered process, we significantly enhanced the “air cushion” effect, achieving a structure scale of approximately 5–7 μm. This resulted in a water contact angle of 157° while maintaining over 90 % optical transmittance. The structures were uniformly distributed throughout the polymer matrix, leading to a 500 % increase in tensile strength at break compared to pure isosorbide polycarbonate, with a maximum strength exceeding 50 MPa. These multifunctional materials show great promise for applications in smart windows, solar panels, camera lenses, and other optoelectronic devices.

Anion regulation for surface passivation enables ultrahigh-stability perovskite nanocrystals.

All-inorganic perovskite CsPbBr3 nanocrystals (NCs) display high photoluminescence quantum yield and narrow emission, which show great potential application in optoelectronic devices. However, the poor environment stability of NCs will hinder their practical application. Herein, a series of ionic liquids with different anions (BF4-, Br-, and NO3-) were used as a sole capping ligand to synthesize NCs. Among the three samples, 1-hexadecyl-3-methylimidazolium tetrafluoroborate ([C16MIM]BF4) capped NCs have the highest stability in light, thermal, and water, possibly attributing to the in situ passivation of bromine vacancy via pseudohalogen BF4- and tight binding of ionic liquid ligands and lead atoms. In addition, green-emission [C16MIM]BF4 NCs were used to assemble a white light-emitting diode device, and it possessed a wide National Television System Committee color gamut of 124.5% and a stable emission peak at high driving currents of 380 mA. This work paves the way for resurfacing perovskite NCs with ultrahigh stability, thereby driving the perovskite NC display industry closer to real-world application.

Recent Advances of Boron‐Containing Chiral Luminescent Materials†

Comprehensive SummaryAs a class of organic dyes, boron‐containing compounds play an important role in organic luminescent materials. They have attracted considerable attention due to their unique photophysical properties. Chiral luminescent systems have a wide range of practical applications in biological imaging, optoelectronic devices, information storage and 3D display. Boron‐containing chiral luminescent materials can not only effectively improve the luminescent properties of CPL materials, but also bring unique properties to the system, which enables them to be used as favorable CPL emitting materials for an expanded range of applications. Here, we review the research progress of boron‐containing chiral luminescent materials by the detailed discuss according to different chiral skeletons, such as point chirality, 1,1’‐binaphthyl, [n]helicenes, [2,2]paracyclophane and pillar[5]arenes. We believe that this review is of significance for the development of boron‐containing compounds and CPL materials. Key ScientistsThe studies of circularly polarized luminescence (CPL) based on small organic molecules have advanced significantly. However, boron‐containing chiral luminescent materials have gained attention only in recent years. In 2019, Zhao's group prepared a binaphthalene derivative modified with triarylborane, representing the organic small molecule luminescent material to exhibit CPL characteristics responsive to both solvent and fluoride ions. In 2020, the Chen's group used the unique luminescence properties and steric effects of triarylborane and triphenylamine to prepare CPL materials based on the planar chiral pillar[5]arenes. In 2021, Wang's group developed a new class of B,N‐embedded double hetero[7]helicenes molecules that exhibit strong chiroptical responses in the UV‐visible region. In the same year, He's group used asymmetric reactions to synthesize boron‐based point‐chirality compounds with high efficiency and enantioselectivity. In 2023, Ravat synthesized 1,4‐B,N‐embedded helicenes exhibiting narrow‐band fluorescence and CPL. During this period, Matthias Wagner et al obtained (BO)2‐doped tetrathia[7]helicene via an efficient four‐step synthesis, and Zheng reported the nearly pure green circularly polarized electroluminescent device (CP‐OLED). In 2024, Chen's group prepared B,N‐embedded hetero‐[9]helicenes offering a pathway towards significantly enhanced efficiency in helicene‐based CPEL.

Magneto-optical properties of heavily Fe-doped GaAs: a density functional approach.

The magneto-optical properties of heavily iron-doped GaAs are investigated. Complex permittivity, optical conductivity and absorption coefficients are mainly discussed using spin-polarized electronic band structures close to the Fermi energy level. Furthermore, prominent magneto-optical properties in visible light and ultraviolet regions, including magnetic circular dichroism as well as complex Kerr and Faraday rotation angles, are presented and discussed. A density functional approach corroborated by some experimental results indicates that GaAs with 25% Fe dopants either in As or Ga sites is a promising ferromagnetic material and a useful platform for optoelectronic and spintronic device applications.

High-performance Bi2S3 photodetector based on oxygen-mediated defect engineering and its wafer-scale fast fabrication

Bi2S3 with a 2D van der Waals structure has attracted much attention due to its high conductivity, large absorption coefficient, and environmental friendliness. The preparation of tunable optoelectronic devices can be realized by exploiting and tuning Bi2S3 intrinsic defects. In this work, a simple and rapid method for the preparation of bismuth sulfide thin films and successfully prepare Bi2S3 with sulfur vacancies (Svac) (LA-Bi2S3) and oxygen passivated (Svac) (AP-Bi2S3) was presented. The defect state difference of the two devices leads to exhibit different optoelectronic properties. Under 638 nm and 1310 nm illuminations, the LA-Bi2S3 photodetectors exhibit responsivities of up to 2250 and 3.6 mA/W and detectivities of 1.69 × 1012 and 2.6 × 109 cm·Hz1/2 W−1, while the AP-Bi2S3 photodetectors have ultra-fast on/off speeds of 1 ms and 8 ms, and on/off ratio up to 3 × 103. The preparation method of the tunable optoelectronic devices gives a new avenue for defect tuning in metal sulfides and for the preparation and application of optoelectronic devices.

Characterization and Performance Evaluation of Ni-Doped SnO2 Thin Films for Optoelectronic Applications: Structural, Optical, and Electrical Insights

Abstract Undoped and Ni-doped tin oxide thin films were synthesized using the spray pyrolysis technique on ordinary glass substrates. The study aimed to investigate the physico-chemical properties of these thin films using various characterization techniques. X-ray diffraction analysis revealed a polycrystalline behavior with a tetragonal structure and a preferential orientation along the direction for both undoped and Ni-doped SnO2 films. Raman spectroscopy confirm the tetragonal rutile structure and shows a slight enhancement of crystallinity for 4% Ni doped SnO2 thin films. Optical measurements showed a decrease in transmittance with increasing dopant ratio, indicating reduced transparency, and a decrease in band gap with Ni insertion. Electrical measurements, conducted through I-V curve analysis, confirmed Ohm's law compliance and indicated a decrease in resistivity with Ni doping, suggesting improved electrical conductivity. Additionally, the study explored the performance of thin-film solar cells utilizing SnO2 as a transparent conducting layer through numerical simulations using SCAPS-1D software. The effects of Ni doping on the solar cell performance were examined, suggesting potential enhancements or modifications in efficiency and functionality. Overall, the findings provide valuable insights into the structural, optical, and electrical properties of undoped and Ni-doped SnO2 thin films, offering promising avenues for their application in optoelectronic devices.

Theoretical aspects of structure, electronic, optical and elastic properties of Ca(1-x)CxSe mixed alloys in binary and ternary phases

The structural, optoelectronic, and elastic properties of Carbon doped Calcium Selenide binary and ternary semiconductor alloys with the general form of Ca(1-x)CxSe, 0 ≤ x ≤ 1 in B1 and B3 phases have been scrutinized adopting augmented plane wave plus local orbital methods within density functional theory applying different approximations like the Local density approximation (LDA), Wu-Cohen-Generalized Gradients Approximation (WC-GGA) and modified Becke-Johnson (mBJ). Structural properties summarize the crystal structure, relevant atomic positions, lattice constant, Bulk modulus B0, minimum energy E0, and minimum volume V0. Elastic constants confirm the structure stability of the B1 and B3 phases. The band gap was modified from a wider for appropriate optoelectronic devices application to narrow that enhanced the range of applicability of these binary and ternary semiconductor compounds for optoelectronic device applications. Whereas optical properties which include the study of zero frequency limit of static dielectric constant ε0(ω) with its real and imaginary parts, static refractive index n(0), optical reflectivity R(ω), optical absorption coefficient α(ω), optical conductivity σ(ω), and loss function L(ω) studied comprehensively to get real electrical and optical properties of these materials and give semiconductor market best alternative candidate which shows its effectiveness in the visible, ultraviolet and infrared region of the electromagnetic spectrum. Obtained results compared together and with the available experimental along with theoretical work on these binary and ternary Carbon-doped Alkaline earth Selenide.

Spatially Precise Light-Activated Dedoping in Wafer-Scale MoS2 Films.

2D materials, particularly transition metal dichalcogenides (TMDCs), have shown great potential for microelectronics and optoelectronics. However, a major challenge in commercializing these materials is the inability to control their dopingat a wafer scale with high spatial fidelity. Interface chemistry is used with the underlying substrate oxide and concomitant exposure to visible light in ambient conditions for photo-dedoping wafer scale MoS2. It is hypothesized that the oxide layer traps photoexcited holes, leaving behind long-lived electrons that become available for surface reactions with ambient air at sulfur vacancies (defect sites) resulting in dedoping. Additionally, high fidelity spatial control is showcased over the dedoping process, by laser writing, and fine control achieved over the degree of doping by modulating the illumination time and power density. This localized change in MoS2 doping density is very stable (at least 7 days) and robust to processing conditions like high temperature and vacuum. The scalability and ease of implementation of this approach can address one of the major issues preventing the "Lab to Fab" transition of 2D materials and facilitate its seamless integration for commercial applications in multi-logic devices, inverters, and other optoelectronic devices.

Ideal Photothermal Materials Based on Ge Subwavelength Structure

Photothermal materials often prioritize solar absorption while neglecting thermal radiation losses, which diminishes thermal radiation conversion efficiency. This study addresses this gap by introducing a germanium (Ge) subwavelength structure (SWS) designed to optimize both solar absorption and infrared emissivity. Using a self-masked reactive ion etching (RIE) technique, we achieved a peak absorption of 98.8% within the 300 nm to 1800 nm range, with an infrared emissivity as low as 0.32. Under solar illumination of 1000 W/m2, the structure’s temperature increased by 50 °C, generating a heating power of 800 W/m2. Additionally, it demonstrated good mechanical and thermal stability at high temperatures and possessed a hydrophobic angle of 132°, ensuring effective self-cleaning. These characteristics make the Ge SWS suitable for application in solar panels, displays, sensors, and other optoelectronic devices.

Shortwave-Infrared Silver Chalcogenide Quantum Dots for Optoelectronic Devices.

Silver chalcogenide (Ag2X, X = S, Se, Te) semiconductor quantum dots (QDs) have been extensively studied owing to their short-wave infrared (SWIR, 900-2500 nm) excitation and emission along with lower solubility product constant and environmentally benign nature. However, their unsatisfactory photoluminescence quantum yields (PLQYs) make it difficult to obtain optoelectronic devices with high performances. To tackle this challenge, researchers have made great efforts to develop valid strategies to improve the PLQYs of SWIR Ag2X QDs by suppressing their nonradiative recombination of excitons. In this Perspective, we summarize the significant approaches of heteroatom doping and surface passivation to enhance the PLQYs of SWIR Ag2X QDs, and we conclude their application in high-efficiency optoelectronic devices. Finally, we examine the future trends and promising opportunities of Ag2X QDs with regard to their optical properties and optoelectronics. We believe that this Perspective will serve as a valuable reference for future advancement in the synthesis and application of SWIR Ag2X QDs.

Study of Luminescence Phenomena of Tb (III) Containing Fluroquinoline for Application in Optoelectronic Devices.

This study presents a series of six vivid green Tb(III) complexes, denoted by the general formula [Tb(L)3.secondary sensitizers], where L represents 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid and secondary sensitizers consist of heterocyclic N-donor aromatic systems. The synthesis of these complexes were achieved through a solvent-assisted grinding method, and their characterization involved various techniques such as CHN analysis, FTIR, NMR, UV, XRD, and NIR spectroscopy. These analyses confirmed the successful synthesis of complexes with coordination between the quinoline moiety and the metal ion. Photoluminescence studies were conducted in solid and solution phases, revealing excellent luminescence properties. The bright green color emitted by the complexes upon exposure to UV rays was attributed to the hypersensitive 5D4 → 7F5 transition. J-O analysis indicated an asymmetrical coordination environment around in the complexes. Additionally, various radiative properties (Ared, Anred, η, βexp, σs) and band gap values were determined, highlighting the potential applications of these complexes in diverse optoelectronic fields. Chromaticity evaluation demonstrated high color purity in both solid and solution phases. Furthermore, the CCT value identified the solid complexes as a cool light source. Overall, the analyses supported the exceptional luminosity of synthesized complexes, positioning them as promising luminescent materials for a wide range of devices.

Flexibility, Dispersion Property, and Giant Sunlight Absorption of Monolayer MX2 (M = Zr, Hf; X = S, Se) and Related Janus MXY (M = Zr, Hf; X = S, Y = Se)

IVB–VIA transition metal dichalcogenides (TMDs) MX2 (M = Zr, Hf; X = S, Se) and related Janus MXY (M = Zr, Hf; X = S, Y = Se) have garnered significant attention due to their unique optoelectronic properties. To further explore their potential in flexible photonics, their mechanical, band dispersion, and optical dielectric properties using orbital hybrid theory are investigated. The results reveal that the out‐of‐plane linear compression resistance of these materials is considerably lower than their in‐plane resistance, primarily because van der Waals interactions are much weaker compared to ionic bond interactions. This characteristic makes them less susceptible to external pressure and torsional forces, positioning them as promising candidates for flexible optoelectronic devices. Furthermore, the presence of multiple energy bands at the same momentum state suggests a tendency toward metal–insulator transitions. Notably, the materials exhibit a high photon flux, indicating robust photoelectric conversion capabilities, making them suitable for applications in photoelectric transducers. This study not only deepens the understanding of the optoelectronic and mechanical properties of IVB–VIA TMD materials, but also offers theoretical guidance for the development and application of flexible optoelectronic devices based on IVB‐VIA TMDs and related Janus materials.

Theoretical Insights into Off-Stoichiometric Zr(x)Ti(1-x)IrSb Half-Heusler Alloys: A First Principle Calculations.

This study presents a theoretical investigation into the phase stability, electronic, and optical properties of off-stoichiometric Zr_{x}Ti_{1-x}IrSb (x = 0, 0.0625, 0.1875, 0.25, 0.50, 0.75, 1) compounds. Using first-principles calculations, we explore how varying Zr and Ti concentrations can tune the electronic and optical properties of these half-Heusler alloys. The Structural, optical, and electronic properties were meticulously analyzed with both the GGA-PBE and Meta-GGA-SCAN approximations, as implemented in the Vienna Ab initio Simulation Package (VASP). The dynamical stability of these compounds was assessed using the Phonopy package. Our findings reveal that these alloys exhibit semiconductor behavior with tunable band gaps, and their optical properties show significant variation across different compositions, particularly in the visible light range. The compounds also demonstrate robust dynamical stability, indicating their potential for practical applications in electronic and optoelectronic devices. These results underscore the versatility of Zr_{x}Ti_{1-x}IrSb alloys and highlight their promise for next-generation technology.

Random alloy growth of AlAs0.08Sb0.92 on GaSb under high Group-V flux condition

The growth of AlAsxSb1-x epilayers with x < 0.1 is crucial for various optoelectronic device applications. However, achieving the desired alloy composition and lattice-matched condition remains challenging. In this study, the epitaxial growth of the random alloy AlAsSb on GaSb was investigated using molecular beam epitaxy. The objective was to determine the optimal growth condition to obtain AlAs0.08Sb0.92 on GaSb (lattice-matched to GaSb) with a high growth rate and under a high group-V/III beam equivalent pressure (BEP) ratio. The growth parameters, including the group-V/III BEP ratio, growth rate, and temperature, were studied to monitor the change in the structural properties of the AlAsSb epilayer. It was shown that the As incorporation in AlAsSb was higher than expected at high growth rate and under high Sb BEP condition. The results demonstrated that increasing the growth temperature while decreasing the As BEP did not significantly improve the crystal quality where the optimization of group-V/III BEP ratio and As BEP is effective to obtain AlAs0.08Sb0.92 on GaSb and enhance the crystal quality. The findings provide valuable insights into the growth dynamics of AlAsSb to achieve high quality and lattice-matched epilayers grown on GaSb which is well-suited for a range of optoelectronic applications.