Evaluating Pb-based and Pb-free Halide Perovskites for Solar-Cell Applications: A Simulation Study.

Metal halide Pb-based and Pb-free perovskite crystal structures are an essential class of optoelectronic materials due to their significant optoelectronic properties, optical absorption and tuneable emission spectrum properties. However, the most efficient optoelectronic devices were based on the Pb as a monovalent cation, but its toxicity is a significant hurdle for commercial device applications. Thus, replacing the toxic Pb with Pb-free alternatives (such as tin (Sn)) for diverse photovoltaic and optoelectronic applications is essential. Moreover, replacing the volatile methylammonium (MA) with cesium (Cs) leads to the development of an efficient perovskite absorber layer with improved optical & thermal stability and stabilized photoconversion efficiency. This paper discusses the correlation between the experimental and theoretical work for the Pb-based and Pb-free perovskites synthesised using the hot-injection method at different temperatures. Here, simulation is also carried out using the help of SCAPS-1D software to study the effect of various parameters of CsSnI3 and CsPbI3 layers on solar cell performance. This experimental and theoretical comparative study of the Hot-injection method synthesised CsPbI3 and CsSnI3 perovskites is rarely investigated for optoelectronic applications.

Experimental analysis of methylammonium and Formamidinium-based halide perovskite properties for optoelectronic applications.

Nowadays, the toxicity of lead in metal-halide perovskites is the most precarious obstruction in the commercialization of perovskite-based optoelectronic devices. However, Pb-free metal halide perovskites as environment-friendly materials because of their exceptional properties, such as band-gap tunability, narrow emission spectra, low toxicity and easy solution-processability, are potential candidates for optoelectronic applications. Recently, literature reported the poor structural stability and low-emission intensity of Bi-based perovskite NCs. Still, this paper focuses on the fabrication of Formamidinium (FA)-based Bi mixed halide and Methylammonium(MA)-based Bi-pure halide perovskites using Ligand-Assisted Reprecipitation Technique (LARP) technique. XRD diffraction patterns of FA-based perovskites were slightly broad, signifying the nanocrystalline form and limited size of perovskite nanocrystals. While the XRD diffraction patterns of MA3Bi2X9 (X = Cl/Br/I) perovskites were narrow, signifying the amorphous nature and larger size of perovskite nanocrystals. The peak positions were varied in MA-based bismuth halide perovskites with respect to the halide variation from Br to Cl to I ions. The optical study shows the variation in band gap and average lifetime with respect to halide variation leading to enhanced optical properties for device applications. The band-gap of FA3Bi2BrxCl1-x & FA3Bi2IxCl1-x perovskites was calculated to be around 3.7 & 3.8 eV, respectively, while in MA-halide perovskites the band-gap was calculated to be 2.8 eV, 3.1 eV & 3.4 eV with respect to halide variation from I to Cl to Br in perovskite samples using Tauc's plot respectively. Moreover, simulation is carried out using the SCAPS-1D software to study the various parameters in MA & FA-based Bi-pure or mixed halide perovskites. Here, we discussed the variation in efficiency with respect to the thickness variation from 100 to 500 nm for MA3Bi2I9 halide perovskites. These MA3Bi2I9 halide perovskites show minimum efficiency of 4.65 % at 100 nm thickness, while the perovskite sample exhibits maximum efficiency of 10.32 % at 500 nm thickness. Thus, the results stated that the thickness of absorber layers directly affects the device characteristics for optoelectronic applications.

Performance evaluation of ZnSnN2 solar cells with Si back surface field using SCAPS-1D: A theoretical study.

The earth-abundant semiconductor zinc tin nitride (ZnSnN2) has garnered significant attention as a prospective material in photovoltaic and lighting applications, primarily due to its tunable narrow bandgap and high absorption coefficient. This study focuses on a numerical investigation of ZnSnN2 solar cell structures using the SCAPS 1-D software. The objective is to analyze the influence of various physical and geometrical parameters on solar cell performance. These parameters include the thicknesses of the ZnO window layer, CdS buffer layer, ZnSnN2 absorber layer, and Si back surface field layer (BSF), as well as operating temperature, series and shunt resistances (RS and Rsh), absorber layer defect density, interface defects, and the generation-recombination profile of the n-ZnO:Al/n-CdS/p-ZnSnN2/p-Si/Mo structure. We have evaluated the capabilities of this novel material absorber by investigating its performance across a range of thicknesses. We have started with ultrathin absorber thicknesses and gradually increased them to thicker levels to determine the optimal thickness for achieving high efficiency. Under optimal conditions, a thin solar cell with a thickness (wp) of 1 µm achieved an efficiency (η) of 23.9%. In a practical solar cell operating at room temperature, optimal parameters were observed with a thicker absorber layer (wp = 8 µm) and a BSF width of 0.3 µm. The cell exhibited resistances of Rsh = 106 Ω cm2 and Rs = 1 Ω cm2, along with a low defect density (Nt = 1010 cm-3) in the ZnSnN2 semiconductor. These factors combined to yield an impressive efficiency of 29.5%. Numerous studies on emerging ternary nitride semiconductors (Zn-IV-N2) have highlighted ZnSnN2 as a promising material for thin-film photovoltaics. This compound is appealing due to its abundance, non-toxicity, and cost-effectiveness. Unlike conventional solar cells that depend on rare, toxic, and costly elements, these components are still essential for today's solar cell technology.

Synaptic plasticity and learning behaviour in multilevel memristive devices.

This research explores a novel two-terminal heterostructure of the Pt/Cu2Se/Sb2Se3/FTO memristor, which exhibited essential biological synaptic functions. These synaptic functions play a critical role in emulating biological neural systems and overcoming the limitations of traditional computing architectures. By repeating a fixed pulse train, in this study, we realized a few crucial neural functions toward weight modulation, such as nonlinear conductance changes and potentiation/depression characteristics, which aid the transition of short-term memory to long-term memory. However, we also employed multilevel switching, which provides easily accessible multilevel (4-states, 2-bit) states, for high-density data storage capability along with endurance (102 pulse cycles for each state) in our proposed device. In terms of synaptic plasticity, the device performed well by controlling the pulse voltage and pulse width during excitatory post-synaptic current (EPSC) measurements. The spike-time-dependent plasticity (STDP) highlights their outstanding functional properties, indicating that the device can be used in artificial biological synapse applications. The artificial neural network with Pt/Cu2Se/Sb2Se3/FTO achieved a significant accuracy of 73% in the simulated Modified National Institute of Standards and Technology database (MNIST) pattern. The conduction mechanism of resistive switching and the artificial synaptic phenomena could be attributed to the transfer of Se2- ions and selenium vacancies. The neuromorphic characteristics of the Pt/Cu2Se/Sb2Se3/FTO devices demonstrate their potential as futuristic synaptic devices.

SnTe as a BSF enhances the performance of Sb2Se3 based solar cell: A numerical approach.

This theoretical investigation's primary goal is to investigate how the Sb2Se3 solar cell's performance may be improved. Here, SnTe, as an innovative back surface field (BSF) layer, has been added between the rear contact (Mo) and absorber layer (Sb2Se3). Above the absorber layer, the structure comprises a thin CdS buffer layer. For each layer of the Al/CdS/Sb2Se3/SnTe/Mo structure, the physical characteristics such as the active layer's thicknesses, carrier concentration, defect density, and rear electrode's work function are determined. The suggested cell outperformed the solar cell without the SnTe layer, which had an efficiency of 20.33%, with enhanced efficiency and open-circuit voltage (Voc) of 28.25% and 0.86 V, respectively, at 300 K. The above solar cell used 0.15 µm SnTe layer, 0.05 µm CdS, and 2.0 µm Sb2Se3 layer. The features of the antimony selenide (Sb2Se3) based solar structure is examined using the SCAPS-1D software, which simulates solar cells in one dimension. Investigations have also been done into how working temperatures influence the I-V parameters of the structure.

Sb2Se3 as an HTL for Mo/Sb2Se3/Cs2TiF6/TiO2 solar structure: performance evaluation with SCAPS-1D.

Perovskite-based solar cells (PSCs) have recently gained much attention due to their distinctive optical and electrical properties. Cesium titanium fluoride (Cs2TiF6) is an example of lead-free perovskite absorber material with a bandgap of 1.9 eV, making it suitable for a solar device. However, the high cost of the hole transport material (HTM) and other considerations prevent their commercial production. Antimony selenide (Sb2Se3) is well suited for HTM as it is low-cost material with a tunable bandgap. The work presents the TiO2/Cs2TiF6/Sb2Se3-based solar cell performance using SCAPS-1D simulation software. The effect of all the active layer thicknesses, defect density, hole-electron mobility, and temperature on the device is also simulated. I-V, C-V, and QE curves and energy band diagrams show the photovoltaic device's excellent performance. The outputs are competent enough with an efficiency of 22.10 % when Sb2Se3 is used as a hole transport layer (HTL) in the device architecture. The results suggest that the lead-free solar cell is a promising future option for the solar cell community regarding environmental friendliness and high efficiency.

A study on structural, optical, and electrical characteristics of perovskite CsPbBr3 QD/2D-TiSe2 nanosheet based nanocomposites for optoelectronic applications.

Lead halide perovskite (CsPbBr3) quantum dots (QDs) and two-dimensional (2D) layered transition metal dichalcogenides have a significant application in solution-processed optoelectronic devices. Here, we report the oleylamine-assisted exfoliation of TiSe2 nanosheets (NSs) in dichlorobenzene with high concentration and stable dispersion. The functionalized TiSe2 NSs were used to synthesize the solution-processed perovskite CsPbBr3 QD/TiSe2 NS-based nanocomposite. The perovskite QDs and TiSe2 NSs were characterized by different techniques. The strong photoluminescence (PL) quenching and decreased lifetime decay of the nanocomposite indicates efficient charge transfer from photo-excited CsPbBr3 to TiSe2 NSs. The calculated charge-transfer rate constant (KET) from photo-excited CsPbBr3 to TiSe2 NSs increased from 1.50 × 108 to 2.79 × 108 s-1 in different concentrations of TiSe2 NSs (5 to 20 µg mL-1), respectively. Furthermore, the photo-currents of CsPbBr3 QD/TiSe2 NS nanocomposite devices were dramatically enhanced ∼2 times compared to pristine CsPbBr3 QD based devices, which supports the charge transfer and charge separation in nanocomposite devices.

A study on chemical exfoliation and structural and optical properties of two-dimensional layered titanium diselenide.

Titanium diselenide (TiSe2) is the least studied member of the transition metal dichalcogenide family due to a lack of available synthesis methodology, controlled bandgap engineering, and rapid characterization of layers. In this paper, we report the chemical exfoliation of TiSe2 platelets synthesized by the chemical vapor transport route in ortho-dichlorobenzene (o-DCB) functionalized with oleylamine (OLA), for the first time to the best of our knowledge. It is found that the addition of OLA supports the formation of a stable dispersion of a large area of the TiSe2 sheets due to surface capping with the OLA molecules indicating the importance of the ligand in dispersion behavior. The X-ray diffraction pattern confirms the hexagonal structure of the TiSe2 platelets with the space group P3[combining macron]m1 while Raman spectroscopy reveals that two modes of vibration i.e. A1g and E2g exist with layered structures having dimensions in micrometers as confirmed by scanning electron microscopy. Fourier transform infrared spectroscopy confirms the successful functionalization of chemically exfoliated TiSe2 nanosheets. Field-emission scanning electron microscopy reveals that exfoliated TiSe2 has a thickness of 15-55 nm whereas high-resolution transmission electron microscopy indicates thicker sheets for ligand-free exfoliated TiSe2 which are crystalline. Atomic force microscopy confirms the formation of nanosheets. UV-Visible, photoluminescence, and time-resolved PL spectroscopy showed an enhanced effect and better average lifetime of excitation for the exfoliated sheets with OLA than those without OLA. The C-V studies reveal that with increasing scan rate, the corresponding current also increases. The present study offers the possibility of their utilization in optoelectronics, advanced low-power electronics, voltage-controlled oscillators, ultra-fast electronics, and electrochemical devices.

Tuning the Thermoelectric Material's Parameter: A Comprehensive Review.

Thermoelectric is a device that converts heat into electricity. As thermodynamically it is not possible to make device which is 100 percent efficient, some amount of energy is wasted in the form of heat. Thermoelectric materials can play a major role in harnessing such waste energy. Although thermoelectric is a useful device still its efficiency is not good enough for commercialization. Therefore, lots of research have been carried out in finding out the best possible material, device geometry etc. There are thousands of papers describing various optimization processes. The present work reviews the basics of thermoelectric device parameters which determine the performance of the device and how to control these parameters for better thermoelectric efficiency. The efforts made to optimize parameters like power factor, thermal conductivity etc. have been summarized. Experimental results have been described with examples. Highest reported ZT values of various materials have been presented in this review.

Localized Surface Plasmon Resonance Studies on Pd/C Nano-Composite System: Effect of Metal Concentration and Annealing Temperature.

The effects of metal concentration and annealing temperature on the localized surface plasmon resonance (LSPR) properties of the Pd nanoparticles (NP) dispersed in carbon were investigated. The Pd/C nano-composite thin films with 7 to 39 atomic % concentration of metal content were deposited using the atom beam co-sputtering techniques and subjected to annealing at temperature varying from 300 °C to 600 °C. The UV-vis spectroscopy studies on as-prepared films displayed a Mie scattering profile, but not well-defined LSPR bands were observed for all the values of Pd concentration. This is attributed to the smaller size (3-4 nm) of Pd NPs and rough Pd/C interface, as confirmed from TEM studies. When samples were annealed at a temperature of 300 °C, three broad LSPR absorption bands in the visible region, along with a sharp peak at 210 nm, were observed and the effect of Pd concentration variation was insignificant on their position. The multiple LSPR bands were observed due to agglomeration NPs, which is consistent with earlier reports and is also observed in the TEM images. When annealing temperature was subsequently increased to 500 °C, a blue shift in the LSPR peak position with an increase in the Pd concentration was observed, which phenomena is attributed to the formation of bigger NPs with the formation of sharp NPs-interface at high temperature upon annealing. A monotonic increase in the magnitude and decrease in the FWHM with an increase in concentration suggested change in the dielectric function of sample due to the growth of NPs. This is further confirmed from XRD studies, where strain relaxation and grain growth were observed. The intensity of the SPR peak decreased with an increase in the annealing temperature. The LSPR peak disappeared on annealing at a temperature of 600 °C, suggesting the formation of continuous polycrystalline thin films of Pd. In summary, NPs size, metalmatrix interface, and concentration of metal play key roles in the tailoring the LSPR properties of the Pd.

Experimental observation of spatially resolved photo-luminescence intensity distribution in dual mode upconverting nanorod bundles.

A novel method for demonstration of photoluminescence intensity distribution in upconverting nanorod bundles using confocal microscopy is reported. Herein, a strategy for the synthesis of highly luminescent dual mode upconverting/downshift Y1.94O3:Ho3+0.02/Yb3+0.04 nanorod bundles by a facile hydrothermal route has been introduced. These luminescent nanorod bundles exhibit strong green emission at 549 nm upon excitations at 449 nm and 980 nm with quantum efficiencies of ~6.3% and ~1.1%, respectively. The TEM/HRTEM results confirm that these bundles are composed of several individual nanorods with diameter of ~100 nm and length in the range of 1-3 µm. Furthermore, two dimensional spatially resolved photoluminescence intensity distribution study has been carried out using confocal photoluminescence microscope throughout the nanorod bundles. This study provides a new direction for the potential use of such emerging dual mode nanorod bundles as photon sources for next generation flat panel optical display devices, bio-medical applications, luminescent security ink and enhanced energy harvesting in photovoltaic applications.

Hidden lattice instabilities as origin of the conductive interface between insulating LaAlO3 and SrTiO3.

The metallic interface between insulating LaAlO3 and SrTiO3 opens up the field of oxide electronics. With more than a decade of researches on this heterostructure, the origin of the interfacial conductivity, however, remains unsettled. Here we resolve this long-standing puzzle by atomic-scale observation of electron-gas formation for screening hidden lattice instabilities, rejuvenated near the interface by epitaxial strain. Using atomic-resolution imaging and electron spectroscopy, the generally accepted notions of polar catastrophe and cation intermixing for the metallic interface are discounted. Instead, the conductivity onset at the critical thickness of 4-unit cell LaAlO3 on SrTiO3 substrate is accompanied with head-to-head ferroelectric-like polarizations across the interface due to strain-rejuvenated ferroelectric-like instabilities in the materials. The divergent depolarization fields of the head-to-head polarizations cast the interface into an electron reservoir, forming screening electron gas in SrTiO3 with LaAlO3 hosting complementary localized holes. The ferroelectric-like polarizations and electron-hole juxtaposition reveal the cooperative nature of metallic LaAlO3/SrTiO3.

Luminomagnetic bifunctionality of Mn(2+)-bonded graphene oxide/reduced graphene oxide two dimensional nanosheets.

Herein, we report the luminomagnetic bifunctional properties of two-dimensional (2D) Mn(2+) bonded graphene oxide (GO)/reduced graphene oxide (RGO) nanosheets synthesized using a facile route of oxidation followed by a solvothermal reduction method. Photoluminescence (PL) studies (excited by different wavelengths) revealed that the resonant energy transfer between Mn(2+) and sp(3)/sp(2) clusters of GO/RGO is responsible for the enhancement of emissions. Moreover, pH-sensitive PL behaviors have also been investigated in detail. The ferromagnetic behavior is believed to arise due to defects in Mn(2+) bonded GO composites. Thus, present reduction method provides a direct route to tune and enhance the optical properties of GO and RGO nanosheets bonded with Mn(2+) ions, which creates an opportunity for various technological applications.

High-Performance Stable Field Emission with Ultralow Turn on Voltage from rGO Conformal Coated TiO2 Nanotubes 3D Arrays.

A facile method to produce conformal coated reduced graphene oxide (rGO) on vertically aligned titanium oxide (TiO2) nanotubes three dimensional (3D) arrays (NTAs) is demonstrated for enhanced field emission display applications. These engineered nano arrays exhibit efficient electron field emission properties such as high field emission current density (80 mA/cm(2)), low turn-on field (1.0 V/µm) and field enhancement factor (6000) with high emission current stability. Moreover, these enhancements observed in nano arrays attribute to the contribution of low work function with non-rectifying barriers, which allow an easy injection of electrons from the conduction band of TiO2 into the Fermi level of reduced graphene oxide under external electric field. The obtained results are extremely advantageous for its potential application in field emission devices.

Band gap engineering from Vis to NIR range in CdPbS nanoparticles synthesized by one-step low-temperature decomposition of xanthate compound.

In the present study, a generic method for the modification of optical band gap of CdS nanostructures material over a wide spectral range due to Pb doping and formation of Cd(1-x)Pb(x)S nanoparticles and its size confinement is reported. The composite investigated in this study was grown by thermal decomposition of metal xanthates and lead concentration was varied to obtain different lead doping. This is a direct decomposition one pot synthesis route that avoids use of toxic phosphine and injection of chemicals during the reaction. The prepared nanoparticles were characterized by XRD, SEM, EDX, and HRTEM. The optical absorption properties of the Cd(1-x)Pb(x)S nanostructures were investigated by UV-visible spectroscopy. Cd(1-x)Pb(x)S nanoparticles showed tuning of the band gap from 2.7 eV to 0.7 eV.

Highly luminescent-paramagnetic nanophosphor probes for in vitro high-contrast imaging of human breast cancer cells.

Highly luminescent-paramagnetic nanophosphors have a seminal role in biotechnology and biomedical research due to their potential applications in biolabeling, bioimaging, and drug delivery. Herein, the synthesis of high-quality, ultrafine, europium-doped yttrium oxide nanophosphors (Y(1.9)O(3):Eu(0.1)(3+)) using a modified sol-gel technique is reported and in vitro fluorescence imaging studies are demonstrated in human breast cancer cells. These highly luminescent nanophosphors with an average particle size of ≈6 nm provide high-contrast optical imaging and decreased light scattering. In vitro cellular uptake is shown by fluorescence microscopy, which visualizes the characteristic intense hypersensitive red emission of Eu(3+) peaking at 610 nm ((5)D(0)-(7)F(2)) upon 246 nm UV light excitation. No apparent cytotoxicity is observed. Subsequently, time-resolved emission spectroscopy and SQUID magnetometry measurements demonstrate a photoluminescence decay time in milliseconds and paramagnetic behavior, which assure applications of the nanophosphors in biomedical studies.

Faster response of NO2 sensing in graphene-WO3 nanocomposites.

Graphene-based nanocomposites have proven to be very promising materials for gas sensing applications. In this paper, we present a general approach for the preparation of graphene-WO(3) nanocomposites. Graphene-WO(3) nanocomposite thin-layer sensors were prepared by drop coating the dispersed solution onto the alumina substrate. These nanocomposites were used for the detection of NO(2) for the first time. TEM micrographs revealed that WO(3) nanoparticles were well distributed on graphene nanosheets. Three different compositions (0.2, 0.5 and 0.1 wt%) of graphene with WO(3) were used for the gas sensing measurements. It was observed that the sensor response to NO(2) increased nearly three times in the case of graphene-WO(3) nanocomposite layer as compared to a pure WO(3) layer at room temperature. The best response of the graphene-WO(3) nanocomposite was obtained at 250 °C.

Fast response and recovery of hydrogen sensing in Pd-Pt nanoparticle-graphene composite layers.

This study reports the fast response and recovery of hydrogen sensing in nanoparticle-graphene composite layers fabricated using chemical methods and comprising of isolated Pd alloy nanoparticles dispersed onto graphene layers. For 2% hydrogen at 40 °C and 1 atm pressure, a response time of <2 s and a recovery time of 18 s are observed. The fast response and recovery observed during sensing are due to hydrogen-induced changes in the work function of the Pd alloy and modification in the distribution of defect states in the graphene band gap due to gas adsorption. The results of hydrogen sensing in the new class of Pd-Pt nanoparticle-graphene composite material are important for understanding the effect of gas adsorption on electronic conduction in graphene layers and for developing a new type of gas sensor based on changes in the electronic properties of the interface.

Photovoltaic response of a topotaxially formed CdS-Cu(x)S single nanorod heterojunction.

In the present study, a combination of a hydrothermal route and a topotaxial conversion reaction has been used to grow a cadmium sulfide-copper sulfide (CdS-Cu(x)S) single nanorod heterojunction. The J-V characteristics of the CdS nanorods show Shockley behaviour consistent with the energy band diagram of the platinum conducting atomic force microscope (CAFM) probe-CdS nanorod combination. The photovoltaic response measured on the CdS-Cu(x)S nanorods using a CAFM probe shows the formation of a heterojunction with an open circuit voltage of 320 mV, a short circuit current density of 5.5 mA cm⁻² and a crossover of dark and light J-V curves related to the photoconductivity of the interfacial CdS layer. The lengthwise heterojunction fabricated in the present study has many potential advantages in comparison to other single nanorod junctions.

Biosynthesis of Silver Nanoparticles from Desmodium triflorum: A Novel Approach Towards Weed Utilization.

A single-step environmental friendly approach is employed to synthesize silver nanoparticles. The biomolecules found in plants induce the reduction of Ag(+) ions from silver nitrate to silver nanoparticles (AgNPs). UV-visible spectrum of the aqueous medium containing silver ions demonstrated a peak at 425 nm corresponding to the plasmon absorbance of silver nanoparticles. Transmission electron microscopy (TEM) showed the formation of well-dispersed silver nanoparticles in the range of 5-20 nm. X-ray diffraction (XRD) spectrum of the AgNPs exhibited 2θ values corresponding to the silver nanocrystal. The process of reduction is extracellular and fast which may lead to the development of easy biosynthesis of silver nanoparticles. Plants during glycolysis produce a large amount of H(+) ions along with NAD which acts as a strong redoxing agent; this seems to be responsible for the formation of AgNPs. Water-soluble antioxidative agents like ascorbic acids further seem to be responsible for the reduction of AgNPs. These AgNPs produced show good antimicrobial activity against common pathogens.