Study of Pb-based and Pb-free perovskite solar cells using Cu-doped Ni1-xO thin films as hole transport material

SCAPS solar cell simulation program was applied to model an inverted structure of perovskite solar cells using Cu-doped Ni_1-xO thin films as hole transport layer. The Cu-doped Ni_1-xO film were made by co-sputtering deposition under different deposition conditions. By increasing the amount of the Cu-dopant, the film crystallinity enhanced whereas the bandgap energy decreased. The transmittance of the thin films decreased significantly by increasing the sputtering power of copper. High quality, uniform, compact, and pin-hole free films with low surface roughness were achieved. The structural, chemical, surface morphology, optical, electrical, and electronic properties of the Cu doped Ni_1-xO films were used as input parameters in the simulation of Pb-based (MAPbI_3-xCl_x) and Pb-free (MAGeI₃) perovskite solar cells. Simulation results showed that the performance of both Pb-based and Pb-free perovskite solar cell devices significantly enhanced with Cu-doped Ni_1-xO film. The highest power conversion efficiency (PCE) for the Pb-free perovskite solar cell is 8.9% which is lower than the highest PCE of 17.5% for the Pb-based perovskite solar cell.     

Co2FeO4@rGO composite: Towards trifunctional water splitting in alkaline media

Development of efficient, low cost and multifunctional electrocatalysts for water splitting to harvest hydrogen fuels is a challenging task, but the combination of carbon materials with transition metal-based compounds is providing a unique and attractive strategy. Herein, composite systems based on cobalt ferrite oxide-reduced graphene oxide (Co₂FeO₄) @(rGO) using simultaneous hydrothermal and chemical reduction methods have been prepared. The proposed study eliminates one step associated with the conversion of GO into rGO as it uses direct GO during the synthesis of cobalt ferrite oxide, consequently rGO based hybrid system is achieved in-situ significantly, the optimized Co₂FeO₄@rGO composite has revealed an outstanding multifunctional applications related to both oxygen evolution reaction (OER) and hydrogen counterpart (HER). Various metal oxidation states and oxygen vacancies at the surface of Co₂FeO₄@rGO composites guided the multifunctional surface properties. The optimized Co₂FeO₄@rGO composite presents excellent multifunctional properties with onset potential of 0.60 V for ORR, an overpotential of 240 mV at a 20 mAcm^?2 for OER and 320 mV at a 10 mAcm^?2 for HER respectively. Results revealed that these multifunctional properties of the optimized Co₂FeO₄@ rGO composite are associated with high electrical conductivity, high density of active sites, crystal defects, oxygen vacancies, and favorable electronic structure arisinng from the substitution of Fe for Co atoms in binary spinel oxide phase. These surface features synergistically uplifted the electrocatalytic properties of Co₂FeO₄@rGO composites. The multifunctional properties of the Co₂FeO₄@ rGO composite could be of high interest for its use in a wide range of applications in sustainable and renewable energy fields.     

Domain reversal and current transport property in BiFeO3 films

The electrical properties and domain reversal in BiFeO₃ ferroelectric films were studied using sandwiched heterostructures and piezoresponse force microscopy. A robust polarization state was observed, combined with a switchable domain pattern and a remanent polarization of approximately 100 μC cm^?2. In addition, domain reversal was explored using scanning probe microscopy. The results show that dipoles could be reversed along the direction of the electric field under a negative tip bias, leading to carrier gathering near the domain walls. The enhanced conductivity near the domain walls was owing to the discontinuous polarization boundary conditions. In addition, typical diode-like current transport properties are sensitive to various temperature conditions, which is attributed to the Schottky barriers at the contact interface. These findings extend the current understanding of domain texture reversal in ferroelectric films and shed light on their potential applications for future ferroelectric random-access memory operations over a wide temperature range.     

Transport properties in spinel ferrite/graphene oxide nanocomposites for electromagnetic shielding

Herein, $\left({\text{Co}}_{0.5}{\text{Ni}}_{0.5}\right){\text{Cr}}_{0.3}{\text{Fe}}_{1.7}{\text{O}}_4$/graphene oxide nanocomposites were fabricated by ultrasonication technique, using pure spinel ferrite and graphene oxide synthesized by sol-gel method and modified Hummers' method, respectively. The effect of graphene incorporation with ferrite nanoparticles was studied by X-ray diffraction (XRD), electrical and dielectric measurements. XRD analysis revealed the spinel phase for the ferrite sample and confirmed the formation of graphene oxide. The crystallite size was found in the range of $37-43\text{ nm}$ and the porosity increased with the increase in the concentration of graphene oxide in the composites. The DC electrical resistivity of spinel ferrite was found equal to $3.83\times {10}^9\text{ Ω}.\text{cm}$ and it substantially decreased with the increase in the percentage of graphene oxide at room temperature. The real and imaginary part of relative permittivity followed the Maxwell-Wagner type of interfacial polarization. AC conductivity confirmed the conduction by hopping mechanism and increased on increasing the GO content. The coupling of magnetic ferrite with graphene oxide tunes the magneto-electrical properties for potential applications at high frequencies.     

Freeze-drying and mechanical redispersion of aqueous PEDOT:PSS

Poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) films are attracting famous applications in antistatic coating, energy storage and conversion, printed electronics, and biomedical fields due to their conductivity, optical transparency and flexibility. However, PEDOT:PSS has poor dispersion stability during long-term storage and transport. Moreover, the dried PEDOT:PSS films are insoluble in any solvent and cannot be redispersed again. In comparison to bake drying, here, a feasible strategy to achieve mechanically redispersed PEDOT:PSS with the help of freeze-drying process was reported. The redispersed PEDOT:PSS can recover not only the initial characters such as pH, chemical composition, viscosity, and particle size under similar solid contents, but also conductivity and surface morphology of treated films. In addition, the treated film exhibits self-healing properties similar to pristine film in terms of mechanical and electrical properties. This technology enables reuse and overcomes the technical problems of PEDOT:PSS dispersion, realizing real-time processing to meet variable applications.     

Sealing behaviour of glass-based composites for oxygen transport membranes

In this study, seven different filler materials in different proportions were added to a Ba-Ca-Si glass matrix “H” to investigate new sealant with higher thermal expansion coefficient (CTE) value and good sealing performance for application in oxygen transport membrane (OTM). SrTi_0.75Fe_0.25O_3-δ (STF25) was used as an OTM, and the sealing partners were ferritic steel Aluchrom and pre-oxidized Aluchrom. Compatibility tests were carried out to investigate the feasibility of the composites. Higher CTE values were found in dilatometer tests on composite samples by adding 40 wt% Ag (HAg40) and 30 wt% Ni-Cr (HNC30). Gas-tightness measurements of sandwiched samples produced appropriate helium leakage rates in the range of 10^?6 mbar·l·s^?1. Sealing behaviour of sealants HAg40 and HNC30 were investigated by joining STF25 and as-delivered/pre-oxidized Aluchrom together. Scanning electron microscopy (SEM) on cross-sections of the joints revealed a homogeneous microstructure and good adherence of the glass sealants to support metals and STF25.     

Fabrication and joining mechanism of Nano-Cu/Si3N4 ceramic substrates

A novel method for fabricating a nano-Cu/Si₃N₄ ceramic substrate is proposed. The nano-Cu/Si₃N₄ ceramic substrate is first fabricated using spark plasma sintering (SPS) with the addition of nanoscale multilayer films (Ti/TiN/Ti/TiN/Ti) as transition layers. The microstructures of the nano-Cu metal layer and the interface between Cu and Si₃N₄ are investigated. The results show that a higher SPS temperature increases the grain size of the nano-Cu metal layer and affects the hardness. The microstructure of the transition layer evolves significantly after SPS. Ti in the transition layer can react with Si₃N₄ and with nano-Cu to form interfacial reaction layers of TiN and Ti–Cu, respectively; these ensure stronger bonding between nano-Cu and Si₃N₄. Higher SPS temperatures improve the diffusion ability of Ti and Cu, inducing the formation of Ti₃Cu₃O compounds in the nano-Cu metal layer and Ti₂Cu in the transition layer. This study provides an important strategy for designing and constructing a new type of ceramic substrate.     

Revealing the high sensitivity in the metal toinsulator transition properties of the pulsed laser deposited VO2 thin films

Vanadium dioxide (VO₂) is known as a typical 3d-orbital transition metal oxide exhibiting the metal-to-insulator-transition (MIT) property near room temperature. However, their electronic applications have been challenged by the quality and uniformity of VO₂ thin films. In this work, we demonstrate the high sensitivity in the valence charge of vanadium and the MIT properties of the VO₂ thin films to the deposition temperature. This observation indicates the necessity to eliminate the inhomogeneity in the temperature distribution of substrate during the vacuum-deposition process of VO₂. In addition, a high thermoelectric power factor (PF, e.g., exceeding 1 μWcm⁻¹K⁻²) was achieved in the metallic phase of the VO₂ thin films and this value is comparable to typical organic or oxide thermoelectric materials. We believe this high PF enriches the potential functionality in thermoelectric energy conversions beyond the existing electronic applications of the current vacuum-grown VO₂ thin films.     

Morphological study of thin films: Simulation and experimental insights using horizontal visibility graph

We studied the morphological nature of various thin films such as silicon carbide (SiC), diamond (C), germanium (Ge), and gallium nitride (GaN) on silicon substrate Si(100) using the pulsed laser deposition (PLD) method and Monte Carlo simulation. We, for the first time, systematically employed the visibility algorithm graph to meticulously study the morphological features of various PLD grown thin films. These thin-film morphologies are investigated using random distribution, Gaussian distribution, patterned heights, etc. The nature of the interfacial height of individual surfaces is examined by a horizontal visibility graph (HVG). It demonstrates that the continuous interfacial height of the silicon carbide, diamond, germanium, and gallium nitride films are attributed to random distribution and Gaussian distribution in thin films. However, discrete peaks are obtained in the brush and step-like morphology of germanium thin films. Further, we have experimentally verified the morphological nature of simulated silicon carbide, diamond, germanium, and gallium nitride thin films were grown on Si(100) substrate by pulsed laser deposition (PLD) at elevated temperature. Various characterization techniques have been used to study the morphological, and electrical properties which confirmed the different nature of the deposited films on the Silicon substrate. Decent hysteresis behavior has been confirmed by current-voltage (IV) measurement in all the four deposited films. The highest current has been measured for GaN at ～60 nA and the lowest current in SiC at ～30 nA level which is quite low comparing with the expected signal level (μA). The HVG technique is suitable to understand surface features of thin films which are substantially advantageous for the energy devices, detectors, optoelectronic devices operating at high temperatures.     

Blocked crystallization in capped ultrathin polymer films studied by molecular simulations

The crystallization of capped ultrathin polymer films is closely dependent on film thickness and interfacial interaction. Using dynamic Monte Carlo simulations, the crystallization behaviors of polymer films confined between two substrates were investigated. The crystallization rate of confined polymers is reduced with high interfacial interactions. Above a critical strength of interfacial interaction, polymer crystallization in the thin film is inhibited within the simulation time scales. An increase in film thickness leads to a rise in critical interfacial interaction. In thicker films, the chains have more space to change conformation to form crystal stems. In addition, there are fewer absorbed segments in confined chains for the thicker films, and thus the chains have stronger ability to adjust their conformation. Therefore an increase in film thickness can cause a reduction in the entropic barrier required for the formation of crystals and thus an increase in the critical interfacial interaction. © 2018 Society of Chemical Industry