Applications In Optoelectronic Devices Research Articles

Role of Passivation Ligand in Exciton Diffusion and Emission Mechanism of Metal Halide Perovskite Nanocrystal Solid

Shorter-ligand passivated metal halide perovskite nanocrystal (PNC) solids possess smaller inter-NC edge distance which can potentially activate shorter-range nonradiative routes of energy transfer. However, these PNCs are prone to develop surface defects due to ligand detachment and the photogenerated excitons also have high probability to undergo dissociation. It remains unclear how these factors influence the exciton diffusion and emission mechanism of PNC solids. Herein, we prepare two PNC solids passivated with alkylamine and alkylacid ligands of different chain lengths and investigate the exciton diffusion and emission properties by combining time-resolved photoluminescence (PL) and low temperature PL spectroscopy. Our results show that due to the easy ligand detachment and rich surface defects, no prominent exciton transfer occurs in PNC solid passivated with short ligands, despite of the shorter distance between adjacent PNCs. In comparison, the PNC solid passivated with long ligands shows significant occurrence of exciton diffusion from high energy sites towards low energy sites. Accordingly, the PL spectra of thick PNC solid passivated with different ligands show a strikingly different evolution trend with decreasing temperature: in short ligand passivated PNC solid, an intrinsic emission is observed along with a defect-related emission arising from carrier trapping and subsequent radiative recombination, and both emissions are enhanced at lower temperature; in long ligand passivated PNC solid, high energy emission quenches while low energy emission is strengthened due to enhanced exciton transfer at lower temperature. This work reveals that the exciton diffusion and emission properties of PNC solid is strongly mediated by the passivation ligands, providing important insights for their applications in optoelectronic devices.

Symmetry-Breaking Charge Separation Mediated Triplet Population in a Perylenediimide Trimer at the Single-Molecule Level.

Herein, we demonstrate triplet excited-state population in a conformationally rigid perylenediimide trimer (PDI-T) via intramolecular symmetry-breaking charge separation (SB-CS) at the single-molecule level. The single-molecule fluorescence intensity trajectories of PDI-T in nonpolar polystyrene matrix (ε = 2.60) exhibit prolonged fluorescence with infrequent dark states, representing the triplet and/or the charge transfer states. In contrast, in a poly(vinyl alcohol) matrix (ε = 7.80), erratic blinking dynamics resulting in low photon counts were observed, corroborating the feasibility of charge separation in a polar environment. In agreement with the single-molecule measurements, transient absorption spectroscopy of PDI-T reveals ultrafast SB-CS (τCS < 5 ps) in polar tetrahydrofuran (ε = 7.58) and acetone (ε = 20.70), with the population of the triplet excited-state through charge recombination. The current investigation shows the utility of rigid and weakly coupled molecular constructs in controlling triplet generation and SB-CS for potential applications in optoelectronic devices.

Nonlinear Optical Saturable Absorption Properties of 2D VP Nanosheets and Application as SA in a Passively Q-Switched Nd:YVO4 Laser

Two-dimensional (2D) violet phosphorus (VP) plays a significant role in the applications of photonic and optoelectronic devices due to its unique optical and electrical properties. The ultrafast carrier dynamics and nonlinear optical absorption properties were systematically investigated here. The intra- and inter-band ultrafast relaxation times of 2D VP nanosheets were measured to be ~6.83 ps and ~62.91 ps using the pump–probe method with a probe laser operating at 1.03 μm. The nonlinear absorption coefficient βeff, the saturation intensity Is, the modulation depth ΔR, and the nonsaturable loss were determined to be −2.18 × 104 cm/MW, 329 kW/cm2, 6.3%, and 9.8%, respectively, by using the Z-scan and I-scan methods, indicating the tremendous saturable absorption property of 2D VP nanosheets. Furthermore, the passively Q-switched Nd:YVO4 laser was realized with the 2D VP nanosheet-based SA, in which the average output power of 700 mW and the pulse duration of 478 ns were obtained. These results effectively reveal the nonlinear optical absorption characteristics of VP nanosheets, demonstrating their outstanding light-manipulating capabilities and providing a basis for the applications of ultrafast optical devices. Our results verify the excellent saturable absorption properties of 2D VP, paving the way for its applications in pulsed laser generation.

Influence of proteins on the dielectric characteristics of 5CB and 8CB liquid crystals

ABSTRACT In this paper, we study the influence of the protein Bovine Serum Albumin (BSA) on the dielectric properties of liquid crystals (LCs) such as 4-cyano-4-pentyl biphenyl (5CB) and Octyl-4-biphenylcarbonitrile (8CB). Studying the effect of proteins on the dielectric properties of LC is essential for both fundamental research and practical applications in material science, biomedical engineering, biotechnology, and optoelectronic devices. It helps understand the protein behaviour on the surface of LCs, which offers an opportunity to develop novel sensing platforms. A polarising optical microscope (POM) was used to examine the correlation between textures formed by LCs interacting with different concentrations of BSA. In the dielectric studies, dielectric parameters such as impedance (Z), real (Z’) and imaginary (Z’’) parts of the impedance, and the tangential loss (tan δ) were measured. The investigation involved analysing relaxation times using the collected data, revealing distinct behaviours between 5CB and 8CB liquid crystals. Bode and Nyquist’s plots were constructed and analysed to investigate the changes LCs undergo while interacting with BSA. An equivalent electrical circuit (EEC) was constructed using Bode and Nyquist data, from which circuit element values were successfully extracted. The results obtained from the POM studies and the interferences drawn from the EIS can help enhance the performance of protein-based liquid crystal devices.

Unveiling excitons in two-dimensional -pnictogens.

In this paper, we investigate the optical, electronic, vibrational, and excitonic properties of four two-dimensional -pnictogen materials-nitrogenene, phosphorene, arsenene, and antimonene-via density functional theory calculations and the Bethe-Salpeter equation. These materials possess indirect gaps with significant exciton binding energies, demonstrating isotropic behavior under circular light polarization and anisotropic behavior under linear polarization by absorbing light within the visible solar spectrum (except for nitrogenene). Furthermore, we observed that Raman frequencies red-shift in heavier pnictogen atoms aligning with experimental observations; simultaneously, quasi-particle effects notably influence the linear optical response intensively. These monolayers' excitonic effects lead to optical band gaps optimized for solar energy harvesting, positioning them as promising candidates for advanced optoelectronic device applications.

Orientation-Dependent Photoconductivity of Quasi-2D Nanocrystal Self-Assemblies: Face-Down, Edge-Up Versus Randomly Oriented Quantum Wells.

Here, strongly orientation-dependent lateral photoconductivity of a CdSe monolayer colloidal quantum wells (CQWs) possessing short-chain ligands is reported. A controlled liquid-air self-assembly technique is utilized to deliberately engineer the alignments of CQWs into either face-down (FO) or edge-up (EO) orientation on the substrate as opposed to randomly oriented (RO) CQWs prepared by spin-coating. Adapting planar configuration metal-semiconductor-metal (MSM) photodetectors, it is found that lateral conductivity spans ≈2 orders of magnitude depending on the orientation of CQWs in the film in the case of utilizing short ligands. The long native ligands of oleic acid (OA) are exchanged with short-chain ligands of 2-ethylhexane-1-thiol (EHT) to reduce the inter-platelet distance, which significantly improved the photoresponsivity from 4.16, 0.58, and 4.79&amp;#x000A0;mA&amp;#x000A0;W-1 to 528.7, 6.17, and 94.2mAW-1, for the MSM devices prepared with RO, FO, and EO, before and after ligands exchange, respectively. Such CQW orientation control profoundly impacts the photodetector performance also in terms of the detection speed (0.061 s/0.074 s for the FO, 0.048 s/0.060 s for the EO compared to 0.10 s/0.16 s for the RO, for the rise and decay time constants, respectively) and the detectivity (1.7×1010, 2.3×1011, and 7.5×1011 Jones for the FO, EO, and RO devices, respectively) which can be further tailored for the desired optoelectronic device applications. Attributed to charge transportation in colloidal films being proportional to the number of hopping steps, these findings indicate that the solution-processed orientation of CQWs provides the ability to tune the photoconductivity of CQWs with short ligands as another degree of freedom to exploit and engineer their absorptive devices.

Exploring the Post-Annealing Influence on Stannous Oxide Thin Films via Chemical Bath Deposition Technique: Unveiling Structural, Optical, and Electrical Dynamics

Stannous oxide (SnO2) thin films have garnered significant attention for their promising applications in various electronic and optoelectronic devices. In this study, we investigate the impact of post-annealing on the structural, optical, and electrical properties of stannous oxide thin films deposited using the chemical bath deposition (CBD) technique. The thin films were prepared on a Borosilicate glass substrate, followed by a controlled annealing process to enhance their performance. Structural analysis was conducted using techniques such as X-ray diffraction (XRD) to examine the cubic crystalline structure and the crystallite size increase induced by post-annealing. The results revealed alterations in grain size from the SEM and the purity of samples confirmed from EDX results. The optical properties of the Stannous oxide thin films were examined using UV-Vis spectroscopy. The optical absorption and bandgap characteristics were analyzed to understand how post-annealing influences the optical behavior of the thin films. Where the optical absorption was 320nm and the bandgap ranges were 3.86eV to 3.83eV. Furthermore, the electrical properties of the thin films were evaluated semiconducting nature, and conductivity increased with rising post-annealing. The findings from this study contribute to the understanding of the role of post-annealing in tailoring the properties of Stannous oxide thin films. The optimization of structural, optical, and electrical characteristics is crucial for their successful integration into electronic and optoelectronic devices.

Probing optoelectronic and thermoelectric properties of double perovskite halides Li2CuInY6 (Y = Cl, Br, I) for energy conversion applications

Recently, double perovskite halides (DPHs) become crucial due to their potential applications in optoelectronic devices due to their stability, non-toxicity, superior oxidation resistance, high conversion efficiency, and high temperature stability. In the current study, we explored DPHs Li2CuInY6 (Y = Cl, Br, I) employing Wien2k package to analyze the structural stability, optoelectronic and thermoelectric features. The formation energy and Born stability criteria are computed to confirm thermodynamic and structural stability. Studied DPHs have direct bandgaps nature investigated by modified Becke and Johnson (mBJ) potential. Calculated values of bandgap decreases, when replace halide ion from Cl to I, indicate tuning from visible to infrared (IR) region of electromagnetic spectrum. Their band edge tuning across the visible to infrared border is reliant on replacement, which makes them suitable for projects involving opto-electronic devices. Further, optical features are investigated in terms of incident photon energy in order to assess the optical output. Lastly, electronic thermoelectric performance is computed using the figure of merit (ZT) for all DPs. Computed results of direct bandgap and optical behavior show that DP Li2CuInCl6 can be used as photovoltaic devices as compared to DPs Li2CuInBr6 and Li2CuInI6.

Polyvinylalcohol Composite Filled with Carbon Dots Produced by Laser Ablation in Liquids.

Carbon dots (CDs), owing to their excellent photoluminescent features, have been extensively studied for physics preparation methods and for biomedical and optoelectronic device applications. The assessment of the applicability of CDs in the production of luminescent polymeric composites used in LEDs, displays, sensors, and wearable devices is being pursued. The present study reports on an original, environmentally friendly, and low-cost route for the production of carbon dots with an average size of 4 nm by laser ablation in liquid. Jointly, to prove the significance of the study for a wide range of applications, a free-standing flexible polyvinyl alcohol (PVA) composite containing photoluminescent carbon dots was manufactured. CDs were prepared using targets of porose charcoal with a density of 0.271 g/cm3 placed in phosphate-buffered saline (PBS) liquid solution and irradiated for 30 min by pulsed IR diode laser. The optical properties of the obtained suspension containing carbon dots were studied with UV-ViS and FTIR spectroscopies. The photoluminescence of the produced carbon dots was confirmed by the emission peak at 480 nm in the luminescence spectrum. A narrow luminescence band with a full width at half-maximum (FWHM) of less than 40 nm could be an asset in spectral emission analysis in different applications. Atomic force microscopy confirms the feasibility of manufacturing CDs in clean and biocompatible environments, paving the way for an easier and faster production route, crucial for their wider applicability.

Anthocyanins of Delonix Regia Floral Petals: A Novel Approach on Fluorescence Enhancement, Forster Resonance Energy Transfer Mechanism and Photostability Studies for Optoelectronic Applications.

In this work, we focused on extracting the anthocyanin dye in acetone, butanol, ethanol, and water solvents from Delonix regia flowers by a simple maceration extraction process. The identification of functional group analysis, vibrational studies, energy transfer mechanisms, optoelectronic properties, photostability studies, FRET-assisted potential light emissions and photometric properties of the anthocyanin dyes are successively investigated. FTIR spectroscopy and vibrational studies have confirmed the existence of polyphenolic groups in 2-phenyl chromenylium (anthocyanin) dyes. The optoelectronic results show the least direct bandgap (2.04eV), indirect bandgap (1.55eV), Urbach energy (0.380eV), high refractive index (1.20), dielectric constant (2.794), and high optical conductivity (1.954 × 103 S/m) for the anthocyanin dye extracted found in water solvent. The photoluminescence properties such as Stoke's shift, high quantum yield, and lifetime results show that anthocyanin dyes are promising candidates for red-LEDs and optical materials. The absorption and emission spectra of the anthocyanin dyes follow the mirror image rule and the Franck-Condon factor exists between vibrational energy levels corresponding to all the electronic transitions. The excellent correspondence between the absorption and emission spectra reinforces that the anthocyanins are efficient (46%) FRET probes. Further, photometric properties such as CIE, CRI, CCT and colour purity results of anthocyanins in all studied solvents revealed that this material exhibits orange to red shades (x = 0.48 → 0.54 and y = 0.36 →0.45) and is well suitable for have great potential in the manufacturing of Organic-LEDs and other optoelectronic device applications.

Fundamentals and emerging optical applications of hexagonal boron nitride: a tutorial

Hexagonal boron nitride (hBN), also known as white graphite, is a transparent layered crystal with a wide bandgap. Its crystal structure resembles graphite, featuring layers composed of honeycomb lattices held together through van der Waals forces. The layered crystal structure of hBN facilitates exfoliation into thinner flakes and makes it highly anisotropic in in-plane and out-of-plane directions. Unlike graphite, hBN is both insulating and transparent, making it an ideal material for isolating devices from the environment and acting as a waveguide. As a result, hBN has found extensive applications in optical devices, electronic devices, and quantum photonic devices. This comprehensive tutorial aims to provide readers with a thorough understanding of hBN, covering its synthesis, lattice and spectroscopic characterization, and various applications in optoelectronic and quantum photonic devices. This tutorial is designed for both readers without prior experience in hBN and those with expertise in specific fields seeking to understand its relevance and connections to others.

High-performance of low temperature solution-processed P-channel CuGaO thin film transistors

The exploration of p-type metal-oxide semiconductors (MOS) has garnered growing interest, particularly for their potential applications in next-generation optoelectronic devices, display backplanes, and low-power consumption complementary MOS (CMOS) circuits. Here, we introduced low-temperature solution-processed copper gallium oxide (CuGaO) films for p-channel thin-film transistors (TFTs). Hall Effect measurements confirmed the p-type conduction of CuGaO, revealing a conductivity and mobility of 3.76 ×10−2 S/cm and 7.89 cm2V–1s–1, respectively. The p-channel CuGaO-250 TFT demonstrated a field-effect mobility (μFE) of 1.24 cm2V–1s–1, the lowest subthreshold swing (SS) of 519 mV/dec, and an ON/OFF current ratio (ION/IOFF) of ∼104 at a low operating voltage. The notable improvement in TFT performance can be attributed to the quality of the CuGaO-250 film, a smooth surface morphology, and a reduction of interfacial traps between the semiconductor and the gate insulator. Hence, low-temperature fabrication of the p-channel CuGaO TFT holds promise for implementing metal oxide-based TFT and complementary metal oxide semiconductor (CMOS) circuits in next-generation displays.

Insight into the Physical Properties of the Chalcogenide XZrS3 (X = Ca, Ba) Perovskites: A First-Principles Computation

AbstractThis study investigates the structural, mechanical, optical, thermal, and electronic properties of the ionic semiconducting materials XZrS3 (X = Ca, Ba) within the framework of density functional theory (DFT). Here, the elastic constants, modulus (bulk, shear, Young's), ratios (Pugh, Poisson) and elastic anisotropy for XZrS3 (X = Ca, Ba) are studied. Furthermore, the electronic, optical, and thermal properties for XZrS3 (X = Ca, Ba) are regenerated and designed using the values obtained with Cambridge Serial Total Energy Package (CASTEP) software. The calculated lattice parameters show excellent agreement with theoretical and experimental values. The elastic stiffness constants confirm the mechanical stability of both compounds. Although XZrS3 (X = Ca, Ba) is elastically anisotropic, it has little optical anisotropy. The electronic band structures of the material exhibit direct-bandgap semiconducting behavior, with values of 1.3 eV (CaZrS3) and 1.1 eV (BaZrS3) using the generalized gradient approximation (GGA), respectively, which is ideal for solar cell (0.9–1.56 eV) and optoelectronic device applications. Bandgap values of 1.9 eV and 1.6 eV are found for CaZrS3 and BaZrS3, respectively, using the Heyd–Scuseria–Ernzerhof HSE06 functional, which is consistent with previous theoretical and experimental bandgap results. The optical properties including dielectric function, refractive index, absorption coefficient, reflectivity, and loss function are characterized using the GGA of Perdew–Burke–Ernzerhof (GGA-PBE) and HSE06 methods and are discussed in detail. Because of the relatively low Debye temperature (D), thermal conductivity of the lattice (kph), and minimum thermal conductivity (Kmin), the studied materials can be used as thermal barrier coating (TBC) materials. The capacity of heat, Debye temperature, and thermal coefficient of expansion are all computed.

Tunable electronic, transport, and optical properties of fluorine- and hydrogen-passivated two-dimensional Ga2O3 by uniaxial strain

Two-dimensional (2D) semiconductors have shown great prospects for future-oriented optoelectronic applications, whereas the applications of conventional 2D materials are significantly impeded by their low electron mobility (⩽200 cm2 V−1 s−1). In this work, strain-mediated fluorine- and hydrogen-passivated 2D Ga2O3 systems (FGa2O3H) have been explored via using first-principles calculations with the Heyd–Scuseria–Ernzerh and Perdew–Burke–Ernzerhof functionals. Our results reveal a considerable high electron mobility of FGa2O3H up to 4863.05 cm2 V−1 s−1 as the uniaxial tensile strain reaches 6%, which can be attributed to the enhanced overlapping of wave functions and bonding features. Overall, when applying uniaxial strain monotonously along the a(b) direction from compressive to tensile cases, the bandgaps of 2D FGa2O3H increase initially and then decrease, which originates from the changes of σ* anti-bonding in the conduction band minimum and π bonding states in the valence band maximum accompanying the lengthening Ga–O bonds. Additionally, when the tensile strain is larger than 8%, the stronger π bonding at the G point leads to an indirect-to-direct transition. Besides the highest electron mobility observed in n-type doped 2D FGa2O3H with 6% tensile strain, the electrical conductivity is enhanced and further elevated as the temperature increases from 300 K to 800 K. The variations of the absorption coefficient in the ultraviolet region are negligible with increasing tensile strain from 0% to 6%, which sheds light on its applications in high-power optoelectronic devices.

Investigation of structural, electronic, optical and thermoelectric properties of hallide double perovskite Rb2AlAgX6 (X = Cl, I): A first-principles DFT study

In order to meet the demands of the energy consumption, double perovskites (DP) are a dependable green energy source. Consequently, there is a great deal of promise for thermoelectric and optoelectronic device applications when studying these perovskite halides. Our work examined the thermoelectric and optoelectronic properties of Rb2AlAgCl6 and Rb2AlAgI6 halides using Density Functional Theory (DFT). The tolerance factor and energy of formation for the halides that were examined show that they are stable in the cubic phase, structurally and thermodynamically. We calculated the bandgaps for Rb2AlAgCl6 (Eg = 3.82 eV) and Rb2AlAgI6 (Eg = 1.321 eV) using mBJ potentials, and compared them to the reported values. The optical characteristics of the materials under investigation were revealed through the use of a complicated dielectric function. The computed optical findings show that the materials are suitable for optoelectronic applications, with maximal light absorption occurring in the ultraviolet (UV) and infrared (IR) ranges. Optical parameters obtained includes large values of absorption coefficients (∼105cm−1), low reflectivity (∼1–15 %), and high optical conductivity (∼1015 sec−1). Thermoelectric properties revealed enhanced power factor for Rb2AlAgI6 as compared to Rb2AlAgCl6. These results imply that these materials are appropriate for application in optical and thermoelectric devices.

Growth of L asparagine monohydrate doped potassium dihydrogen phosphate semiorganic crystals and its structural, thermal and optical properties

A novel semiorganic crystal is harvested by doping organic amino acid L asparagine monohydrate (LAM) with inorganic compound Potassium dihydrogen phosphate (KDP) by adopting slow evaporation method. Rietveld refinement of the XRD data was performed and the structural study exhibits single phase nature of the LAM doped KDP (LAM-KDP) crystals with a slight decrease in c-axis of the unit cell parameters. Other crystallographic parameters such as crystallite size and strain were also evaluated. The interaction of LAM with KDP was studied from FT-IR analysis by detecting functional groups. The constituting elements of the crystal were identified by energy dispersive X-ray (EDX) analysis. Etching study has been employed to study surface morphology of these crystals. From UV–vis transmittance data, optical band gap and different optical constants like Urbach energy, dielectric constants, electrical and optical conductivities were evaluated. Optical transparency of the LAM-KDP crystals is observed to increase. The third order nonlinear susceptibility χ(3) and nonlinear refractive index n2 of the grown crystals have been predicted using empirical Miller's rule. The value of χ(3) has increased from 1.87 × 10−13 esu to 4.29 × 10−13 esu due to LAM doping. Change in enthalpy (ΔH), change in Gibb's free energy (ΔG) and activation energy Ea during chemical reaction were calculated by thermogravimetric analysis (TGA). Thermal decomposition characteristics of the crystals were analyzed by differential scanning calorimetry (DSC). The high transparency of LAM-KDP crystals in the entire visible spectrum and larger values of nonlinear susceptibility χ(3) and nonlinear refractive index n2 make the synthesized crystal applicable for NLO and optoelectronic devices applications.

Tailoring the optical properties of dye–polymer composite films based on polyvinyl alcohol doped with phenol red toward flexible optoelectronic applications

The composite films of polyvinyl alcohol (PVA) incorporating varying concentrations of phenol red (PR) dye were fabricated using the solution casting method. Structural characteristics of the prepared films were explored through XRD and FTIR spectroscopy analyses. The inclusion of PR dye within the PVA matrix induced cross-linking, enhancing the amorphous nature of the doped PVA samples, as evidenced by XRD patterns. In the presence of PR dopants, the FTIR peaks for PVA exhibited altered intensities and increased width, indicating physical interactions between the functional groups of PVA and PR dopants. The impact of PR additives on the optical properties of PVA was investigated across the spectral range of 190–2500 nm. The PVA/phenol red composite demonstrated enhanced UV blocking in the 190–400 nm wavelength range, rendering it suitable for applications such as UV notch filters, including laser blocking filters. The indirect and direct optical band-gaps of PVA polymer films were reduced from 5.20 eV and 5.78 eV to 4.30 eV and 5.28 eV, respectively, with an increase in the PR filling ratio from 0 wt% to 1.8 wt%. The dispersion region of the refractive index was analyzed using the single oscillator model (Wemple-DiDomenico). Calculation and discussion of values such as dispersion and oscillation energies (Ed and Eo), permittivity at infinite frequency (ε ∞), and lattice contribution to the dielectric function (ε L) of PVA/PR composite films were conducted. These advancements position PVA/PR composite films for potential applications in flexible optoelectronic devices, including light-emitting diodes and photodetectors.

First principle calculations to explore the electronic, mechanical and optical properties of 2D NiX2 (X = O, S, Se) monolayers

This investigation employs ab-initio calculations to investigate the structural, dynamical, mechanical, and optoelectronic attributes of 1T-NiX2 (X = O, S, Se) monolayers. The confirmation of structural and dynamical stability is derived from negative cohesive energy values and the absence of negative frequencies in phonon dispersion spectra. Mechanical stability is established through the application of the Born-Huang stability criterion. Results indicate that an increase in the X-atom size from O to Se induces a reduction in material stiffness from 137.64 Nm−1 to 77.56 Nm−1 and thus, enhances the flexibility of the monolayers. The NiX2 monolayers exhibit indirect bandgap features with values 1.33 eV (1.81 eV), 0.63 eV (0.61 eV) and 0.28 eV (0.28 eV) using PBE (PBE+U) methods. Present results show an inverse relations between the band gap and the size of the X atom. The scanning tunnelling microscope (STM) images of 2D NiX2 monolayers are also simulated for experimental observations. Additionally, exploration of optical characteristics reveals high optical absorption (105 cm−1), which lies from infrared to UV-region. Moreover, NiO2 can be utilized as good wave anti-reflectors with reflection of incident light less than 7%. These results suggest NiX2 materials as promising candidates for diverse applications in optoelectronic and photovoltaic devices.

Band gap tunability in DC sputtered Ni-doped ZnO thin films for wide usage in optoelectronic gadgets

ZnO thin films have brought significant applicability in optoelectronic and energy storage devices based on their environmental friendliness. Pristine ZnO, 6.25 % and 12.5 % Ni-doped ZnO thin films were deposited on Si substrate via direct current and radio frequency magnetrons, respectively. The X-ray diffraction patterns exhibited phase purity of synthesized thin films. The micrographs showed reduction in average grain size for pure ZnO, 6.25 % and 12.5 % Ni-doped ZnO as 95 nm, 70 nm and 60 nm, respectively. The elemental purity was confirmed by energy dispersive X-ray. The ellipsometric analysis showed that Ni inclusion brought band gap variation from 3.06 to 3.08 eV for pure ZnO to 12.5 % Ni-doped ZnO thin films. The real part of dielectric constant enhanced from 3.60 to 3.75 for 12.5 % Ni-doped ZnO, simultaneously depicting reduction in dielectric loss from 0.45 to 0.40. Conclusively, proposing Ni-doped ZnO thin films with low dielectric loss as a potential candidate in optoelectronic industry.

The key role of methylenediammonium and tetrahydrotriazinium in the phase stability of FAPbI3

Formamidinium lead triiodide (FAPbI3) is the prime candidate for single-junction perovskite solar cells, despite the metastability of the phase. To improve its ambient-phase stability and produce world-record photoelectric conversion efficiencies, methylenediammonium (MDA) has been used as an additive in FAPbI3. However, the exact function and role of MDA are still uncertain. The MDA doping may exist in the perovskite lattice in either the original structure or the THTZ-H (tetrahydrotriazinium) structure. In this research, the effects of the MDA and THTZ-H doping FAPbI3 perovskite on its stability are explored by first-principles calculations. Both MDA and THTZ-H doping can improve the stability of FAPbI3 perovskite from a structural perspective due to lattice strain and stronger H–I bonds. However, the doping mechanisms differ significantly in terms of electronic properties. The MDA doping acts by the traditional passivation mechanism. It can eliminate the iodine interstitial defect states that trap charge carriers and inhibit iodine interstitial defect migration. The THTZ-H cation can directly contribute to the band edge construction in the FAPbI3 bulk. Electron delocalization in the π-conjugated ring structure lowered the frontier orbital separation of the THTZ-H organic molecule and enabled orbital overlap with the inorganic moiety. The in-depth understanding of the mechanism of improving stability in this study would facilitate the application of FAPbI3 perovskite optoelectronic devices.