We carried out simulative investigations on a non-toxic, lead-free perovskite solar cell (PSC), where Cs2AgBiBr6, P3HT, ZnO nanorod, and C were utilized as the absorber layer, hole transport layer, electron transport layer, and back contact, respectively. At 600 nm optimum absorber thickness, the device achieved a maximum power conversion efficiency of 4.48%. The PSC operated optimally when the electron affinities were set at 3.3 eV and 4.6 eV for P3HT and ZnO nanorod, respectively. Moreover, the hole mobility and acceptor concentration of P3HT should be weighed during the choosing of appropriate doping additives and doping levels. Besides, the optimum back contact work function and absorber defect density were found to be 5.2 eV and 1E15 cm-3, respectively. We also observed the effect of radiative recombination rates and different charge transport layers on the device's performance. Overall, this study's simulation results will provide insightful guidance towards fabricating an environmentally benign PSC.
We investigated the optical and optoelectronic properties of vertically aligned Al:ZnO nanorod arrays synthesized by the hydrothermal technique at a considerably low temperature on a sputtered Al-ZnO seed layer. The nanorod arrays maintained remarkable alignment along the c-axis over a large area. The seed layers and nanorod arrays showed various optical band gaps. Investigation of the optoelectronic properties of nanorod arrays on
ZnO is a promising material for the fabrication of light emitting devices. One approach to achieve this goal is to use ZnO nanorods because of their expected high crystalline and optical quality. Catalyst free growth of nanorods by metalorganic chemical vapour deposition (MOCVD) was carried out on (0001) sapphire substrates. Arrays of well-aligned, vertical nanorods were obtained with uniform lengths and diameters. A thin wetting layer in epitaxy with the sapphire substrate is formed first, followed by pyramids and nanorods. The nucleation of nanorods occurs either directly at the interface, o…
In this study, the effect of Sr- and Ni-doping on microstructural, morphological and sensing properties of ZnO nanorods has been investigated. Nanorods with different Sr and Ni loadings were prepared using a simple wet chemical method and characterized by means of scanning electron microscopy (SEM), X-ray diffraction (XRD) and photoluminescence (PL) analysis. XRD data confirmed that Sr- and Ni-doped samples maintainsthe wurtzite hexagonal structure of pure ZnO. However, unlikes Sr, Ni doping modifies the nanorod morphology, increases the surface area (SA) and decreases the ratio of IUV/Igreen …
The fabrication of nanostructures with controlled assembly and architecture is significant for the development of novel nanomaterials-based devices. In this work we demonstrate that laser techniques coupled with low-temperature hydrothermal growth enable complex three-dimensional ZnO nanorods patterning on various types of substrates and geometries. The suggested methodology is based on a procedure involving the 3D scaffold fabrication using Multi-Photon Lithography of a photosensitive material, followed by Zn seeded Aqueous Chemical Growth of ZnO nanorods. 3D, uniformly aligned ZnO nanorods a…
In this letter, we have investigated the third-order optical nonlinearities of high-quality Ni doped ZnO nanorods crystallized in wurtzite lattice, prepared by the wet chemical method. In our experiments, we found that the two photon absorption coefficient beta increases by as much as 14 times i.e. 7.6 err 0.4 to 112 err 6 cm per GW, when the Ni doping is increased from 0 to 10 percent. The substantial enhancement in beta is discussed in terms of the bandgap scaling and Ni doping. Furthermore, we also show that the optical bandgap measured by UVVis and photo luminescence spectroscopic, continu…
The controlled modification of the electronic properties of ZnO nanorods via transition metal doping is reported. A series of ZnO nanorods were synthesized by chemical bath growth with varying Co content from 0 to 20 atomic % in the growth solution. Optoelectronic behavior was probed using cathodoluminescence, time-resolved luminescence, transient absorbance spectroscopy, and the incident photon-to-current conversion efficiency (IPCE). Analysis indicates the crucial role of surface defects in determining the electronic behavior. Significantly, Co-doping extends the light absorption of the nano…
The piezoelectric nanomaterial ZnO exhibits an excellent piezoelectric response that can transduce mechanical energy into electrical signals by applying pressure. The piezoelectric behavior of ZnO nanostructures (especially nanorods or microrods) is getting considerable attention in the fabrications of piezo tactile sensors, energy harvesting devices, and other self-powering implantable devices. Especially vertically aligned ZnO nanorods are of high interest due to their higher value of piezoelectric coefficient along the z-direction. In this report, various geometries and alignments of ZnO na…
In this work, hybridization of nonmetal nitrogen-doped carbon dots (NCQDs) with ZnO nanorods (NRs) is utilized towards better photocatalytic degradation of rhodamine B under ultraviolet (UV) irradiation. The structural characterization is confirmed by XRD, XPS, FTIR and HRTEM measurements, while, optical properties have been investigated using UV-visible absorbance spectroscopy and photoluminescence study. The dye degradation using ZnO NR is recorded as ~69%, while the performance of ZnO/NCQD climbs up to ~90%, after nine minutes of UV irradiation. Furthermore, the reusability test suggests be…
We report the electronic structure studies of well characterized polycrystalline Zn_{1-x}Fe_xO (x = 0.0, 0.01, 0.03, and 0.05) nanorods synthesized by a co-precipitation method through x-ray absorption fine structure (XAFS). X-ray diffraction (XRD) reveals that Fe doped ZnO crystallizes in a single phase wurtzite structure without any secondary phase. From the XRD pattern, it is observed that peak positions shift towards lower 2θvalue with Fe doping. The change in the peak positions with increase in Fe contents clearly indicates that Fe ions are replacing Zn ions in the ZnO matrix. Linear comb…
Orientation dependent electronic properties of wurtzite zinc oxide nanorods are characterized by aloof beam electron energy-loss spectroscopy (EELS) carried out in a scanning transmission electron microscope (STEM). The two key crystal orientation differentiating transitions specific to the in-plane (13.0 eV) and out-of-plane (11.2 eV) directions with respect to the wurtzite structure are examined by first principles density-functional theory calculations. We note some degree of orientation dependence at the onset of direct band gap transition near 3.4 eV. We demonstrate that good polarization…
This work reports the successful solid state synthesis of ZnO/NiFe2O4 nanocomposite by calcinations of both green synthesized ZnO nanorods and NiFe2O4 prismatic nanorods at high temperature (850 °C) for ten hours. These nanomaterials were characterized for structural, functional groups and morphological studies using XRD, FTIR and SEM respectively. The photocatalytic activity of the catalysts was assessed through photodegradation of methylene blue (MB) dye. The photocatalytic studies reveal that the ZnO/NiFe2O4 nanocomposite exhibits high degradation efficiency under UV light. The study shows …
Sr doped ZnO nanorods thin films are prepared using wet chemical technique on transparent flexible substrate. Effect of Sr doping on structural and optical properties of ZnO is systematically investigated. The sensing property of the ZnO is enhanced by Sr doping and imitates as a promising material for future toxic and flammable gas sensor applications as well as for optoelectronic devices.
The junction magnetoresistivity and domain phase transition were studied between ZnO and La0.4Gd0.1Sr0.5CoO3 thin films grown on LaAlO3 (100) substrates epitaxially by pulse laser deposit. The ferromagnetic transformation into phase-separated (two phase) state was displayed below Tc~127 and has observed that the lattice change discontinuously in the doped cobalt perovskites La0.4Gd0.1Sr0.5CoO3. The Ginzburg-Landau phase field is introduced to deduce antiferroelectric domain structure in LGSCO thin film. On the basis of the domain structures, the phase boundary of thin film is strongly dependen…
Crystals grow by gathering and bonding of atoms to form an ordered structure. Typically, the growth is equally probable in all crystalline directions, but sometimes, it is not, as is the case of nanowire growth. Nanowire growth is explained, in most cases, by the presence of liquid metal droplets that mediate between an incoming flux of atoms and a substrate or an existing crystal nucleus, while defining the lateral dimension. Here, we report and explain a previously unknown mode of non-isotropic crystal growth observed in two wurtzite semiconductors, InN and ZnO. Being of polar structure, wur…
The protection of halide perovskites is important for the performance and stability of emergent perovskite-based optoelectronic technologies. In this work, we investigate the potential inorganic protective coating materials ZnO, SrZrO3, and ZrO2 for the CsPbI3perovskite. The optimal interface registries are identified with Bayesian optimization. We then use semi-local density-functional theory (DFT) to determine the atomic structure at the interfaces of each coating material with the clean CsI-terminated surface and three reconstructed surface models with added PbI2and CsI complexes. For the f…
In this study, combined DFT, SCAPS-1D, and wxAMPS frameworks are used to investigate the optimized designs of Cs2BiAgI6 double perovskite-based solar cells. The first-principle calculation is employed to investigate the structural stability, optical responses, and electronic contribution of the constituent elements in Cs2BiAgI6 absorber material, where SCAPS-1D and wxAMPS simulators are used to scrutinize different configurations of Cs2BiAgI6 solar cells. Here, PCBM, ZnO, TiO2, C60, IGZO, SnO2, WS2, and CeO2 are used as ETL, and Cu2O, CuSCN, CuSbS2, NiO, P3HT, PEDOT: PSS, Spiro-MeOTAD, CuI, Cu…
Halide perovskite light absorbers have great advantages for photovoltaics such as efficient solar energy absorption, but charge accumulation and recombination at the interface with an electron transport layer (ETL) remains a major challenge in realizing their full potential. Here we report the experimental realization of a zipper-like interdigitated interface between a Pb-based halide perovskite light absorber and an oxide ETL by the PbO capping of the ETL surface, which produces an atomically thin two-dimensional metallic layer that can significantly enhance the perovskite/ETL charge extracti…
Perovskite nanocrystal light-emitting diodes (LEDs) employing architecture comprising a ZnO nanoparticles electron-transport layer and a conjugated polymer hole-transport layer have been fabricated. The obtained LEDs demonstrate a maximum external-quantum-efficiency of 6.04%, luminance of 12998 Cd/m2 and stable electroluminescence at 519 nm. Importantly, such high efficiency and brightness have been achieved by employing solution processed transport layers, formamidinium lead bromide nanocrystals (CH(NH2)2PbBr3 NCs) synthesized at room-temperature and in air without the use of a Schlenk line, …
CsPbI3 has recently received tremendous attention as a possible absorber of perovskite solar cells (PSCs). However, CsPbI3-based PSCs have yet to achieve the high performance of the hybrid PSCs. In this work, we performed a density functional theory (DFT) study using the Cambridge Serial Total Energy Package (CASTEP) code for the cubic CsPbI3 absorber to compare and evaluate its structural, electronic, and optical properties. The calculated electronic band gap (Eg) using the GGA-PBE approach of CASTEP was 1.483 eV for this CsPbI3 absorber. Moreover, the computed density of states (DOS) exhibit…
