Hamid Ghaithan

King Saud University | KKUH

Utilizing first-principles calculations, this study explores the physical characteristics of K2BGaI6 (B = Tl, Rb) double perovskites with the objective of gaining a deeper understanding of their viability for renewable applications. In evaluating the phase stability, we calculated the formation enthalpies, tolerance factor and optimization energies...

This work presents a computational study of the physical properties such as structural, electronic, optical and thermal properties of XSbF3 (X = Ba and Ra) fluoroperovskites. The calculations were performed using the density functional theory (DFT) calculations in conjunction with Quantum Espresso code. The stability of the crystal structure XSbF3...

Halide perovskites are significant due to their versatility and high performance in optoelectronics and green technologies. This paper thoroughly investigates the structural, elastic, optoelectronic and transport characteristics of RbInX3 (X = I, Br, Cl) perovskites using density functional theory (DFT) embedded in Wein2K. Modified Becke Johnson as...

Double perovskites based on rubidium have demonstrated potential for obtaining high solar cell power conversion efficiencies. Their distinct crystal structure and electrical characteristics influence these materials’ potential as effective light absorbers. In this present manuscript, a detailed scrutiny of the physical aspects of halide perovskites...

Double perovskite halide's remarkable physical qualities and ease of synthesis have drawn much interest in the past few years. To analyze the structural and thermodynamic stability, elastic traits, optical, and thermoelectric analysis of the double perovskites K2NaGaBr6 and K2RbTlBr6 , FP-LAPW technique is employed in current work. Exchange correla...

Cs-based perovskites hold immense significance in the field of green technology due to their unique properties, offering promising avenues for efficient, low-cost devices. In this theoretical work, DFT has been employed to extensively scrutinize the physical properties of double fluoroperovskites Cs2TlAgF6. The modified Becke Johnson functional was...

Metal halide perovskites have gained prominence in optoelectronics recently, thanks to their unique optical and electrical properties, along with their adaptable morphologies. The current work reports the electronic, structural, mechanical, optical, and thermoelectric traits of Rb 2 TlInBr 6 for the very first time. The confirmation of thermodynami...

The switch to sustainable power generation sources has gained substantial spotlight due to the essential need to decrease fossil fuels dependence, and alleviate climate change issues. This research aims to explore the first principle calculations for geometrical structure, enthalpy of formation, electronic structure behavior, optical spectra, and p...

Semiconductor chalcopyrite compounds have been a subject of research interest due to their diverse range of physical properties that have captured the attention of scientists. In this ongoing research, we have examined the physical characteristics of LiSbN2 and NaSbN2 chalcopyrites using DFT. The modified Becke–Johnson (mBJ) potential is utilized f...

In this paper, structural, electronic properties, optical spectra, stability, as well as the quantum efficiency of bulk, monolayer and two different stacking heterostructure configurations (XY2/XY2) of dichalcogenide compounds XY2 (where X = Mo or W and Y = S or Se) were performed using density functional technique. Our findings reveal the strong c...

Double perovskites based on rubidium have demonstrated potential for obtaining high solar cell power conversion efficiencies. Their distinct crystal structure and electrical characteristics influence these materials' potential as effective light absorbers. In this present manuscript, a detailed scrutiny of the physical aspects of halide perovskites...

Double perovskites Cs2BB’H6 (B = Al, Na and B’=Tl, In) have been scrutinized by employing density functional theory to calculate their electronic structures, thermodynamic stability, elastic, optical, thermoelectric and photocatalytic properties. The FP-LAPW is utilized in the WIEN2k code for the calculations. Exchange correlation potentials such a...

Lead-free perovskite halides offer a promising alternative due to the successful replacement of lead-based perovskites in various applications. Density functional theory simulations have been utilized to ascertain the physical attributes of lead free Cs2BB′I6 (B = Ag/Rb, B′=Bi/Ga) double perovskites in this work. The well organized modified Becke-J...

Perovskite oxides offer a rich playground for researchers due to their versatile properties, which make them valuable in diverse applications. We studied the stable phases of Ba2CdXO6 (X = Mo, U) perovskite oxides under the shadow of DFT. Optimized structures are utilized to evaluate the physical characteristics of perovskite oxides. The electronic...

Citation: Qaid, S.M.H.; Shaker, A.; Okil, M.; Gontrand, C.; Alkadi, M.; Ghaithan, H.M.; Salah, M.M. Optoelectronic Device Modeling and Simulation of Selenium-Based Solar Cells under LED Illumination. Abstract: Solar cells can be designed for indoor applications to provide a feasible solution for harnessing photon energy from indoor lighting. In thi...

The physical characteristics of SZr2N2 and BaAg2S2 Zintl phases have been explored by utilizing the full-potential augmented plane wave (FP-LAPW) method with the combination of modified Becke-Johnson (mBJ) approximation. The negative formation energies and phonon modes with positive frequencies endorsed the stability of both compounds. The electron...

In this study, we investigated the optoelectronic properties of cubic (Pm3m) and orthorhombic (Pnma) CsPbX3 (X = I, Br, and Cl). We utilized the full potential linear augmented plane wave method, which is implemented in the WIEN2k code, to facilitate the investigation. Different exchange potentials were used to analyze the optoelectronic behavior u...

Double perovskites are considered to be outstanding materials for encountering the energy crises faced by the world community. This article comprehensively addresses the electronic structure, mechanical, optical and transport attributes of Rb 2 ASbX 6 (A=Tl, Cu & X=I, Cl) double perovskites by using the DFT approach. The structural and thermodynami...

Double perovskites with their significance properties are considered to be promising candidates for an extensive range of applications. Current research work includes the theoretical analysis of the physical characteristics of K2TlAsX6 (X = Cl, Br) double perovskites under the framework of DFT. The precise band structure calculations have been done...

Recent developments in spintronics reveal the significance of half-Heusler alloys due to their high spin polarization. Using Wien2k package, half-Heusler VSnX (X = Pt, Pd) alloys have been investigated. The structures are predicted to have most stable in magnetic phases. Furthermore, formation energies and mechanical parameters justify the stabilit...

The goal of this research is to see how excitation wavelength affects steady-state photoluminescence (PL), time-resolved photoluminescence (TRPL), and amplified spontaneous emission (ASE) in CsPbBr3 perovskite quantum dots (PQD). At PL and ASE, a plausible mechanism for explaining the excitation wavelength-dependent phenomena was proposed. The PL a...

Perovskite-type lead halides exhibit promising performances in optoelectronic applications, for which lasers are one of the most promising applications. Although the bulk structure has some advantages, perovskite has additional advantages at the nanoscale owing to its high crystallinity given by a lower trap density. Although the nanoscale can prod...

The growth of nanocrystals (NCs) from metal oxide-based substrates with exposed high-energy facets is of particular importance for many important applications, such as solar cells as photoanodes due to the high reactivity of these facets. The hydrothermal method remains a current trend for the synthesis of metal oxide nanostructures in general and...

Perovskite halide has many advantages that attracted the attention of researchers in the last years, but many challenges prevent the use of halide perovskites in different applications. One of these challenges is the low thermal stability resulting in phase transitions with temperatures. Here, the photoluminescence (PL) characteristics and related...

The improvement of optical and optoelectronic properties of the individual poly [2-methoxy-5- (2-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV), poly[2-methoxy-5-(3,7-dimethyl-octyloxy)-1,4-phenylenevinylene]–End capped with Dimethyl phenyl (OC1C10–PPV–DMP), and poly (9,9′-di- n -octylfluorenyl-2,7-diyl) (F8) was revealed by blending them in terna...

As a wavelength-tunable lasing material, perovskites are now generating a lot of scientific attention. Conventional solution-processed CsPbX3 perovskite films sometimes suffer unavoidable pinhole defects and poor surface morphology, severely limiting their performance on amplified spontaneous emission (ASE) and lasing application. Herein, a thermal...

Controlling the crystallinity, homogeneity, and surface morphology is an efficient method of enhancing the perovskite layer. These improvements contribute toward the optimization of perovskite film morphology for its use in high-performance photovoltaic applications. Here, different solvents will be used in order to process the perovskite precursor...

In this study, the impact of polyvinyl alcohol (PVA) concentration on the sizes of mixed metal oxide (MMO) CdO–NiO–Fe2O3 nanocomposites was investigated. The results showed major improvements in the structural and optical properties that promote antibacterial activity. Self-combustion was used to synthesize MMO nanocomposites. X-ray difraction (XRD...

The high crystal quality of formamidium lead bromide perovskite (CH(NH2)2PbBr3 = FAPbBr3) was infiltrated in a mesoporous TiO2 network. Then, high-quality FAPbBr3 films were evaluated as active lasing media, and were irradiated with a picosecond pulsed laser to demonstrate amplified spontaneous emission (ASE), which is a better benchmark of its int...

The III–V alloys and doping to tune the bandgap for solar cells and other optoelectronic devices has remained a hot topic of research for the last few decades. In the present article, the bandgap tuning and its influence on optical properties of In 1– x Ga x N/P, where ( x = 0.0, 0.25, 0.50, 0.75, and 1.0) alloys are comprehensively analyzed by den...

In the last two decades, the family of metal halide perovskites has received more attention in radiation detection applications. In this work, the radiation detection and dosimetric applicability of the CsPbBr3 thin film will be investigated. The impact of gamma irradiation on the structural, morphological, optical, and electrical properties of the...

The aim of this study was to investigate the effect of short and long term exposure to N-(phosphonomethyl)glycine (glyphosate) on the photosynthetic activity of Ocimum basilicum L. (basil) plants. Photosynthetic pigment content, chlorophyll fluorescence, and laser-induced chlorophyll fluorescence spectra of basil plants treated for 30, 50, or 70 da...

Tuning the emission spectrum of both binary hybrids of poly (9,9′-di-n-octylfluorenyl-2,7-diyl) (PFO) with each poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV) and poly[2-methoxy-5-(3,7-dimethyl-octyloxy)-1,4-phenylenevinylene] end-capped with Dimethyl phenyl (MDMO-PPV–DMP) by a systematic doping strategy was achieved. Both bina...

Inorganic metal-halide perovskites hold a lot of promise for solar cells, light-emitting diodes, and lasers. A thorough investigation of their optoelectronic properties is ongoing. In this study, the accurate modified Becke Johnson generalized gradient approximation (mBJ-GGA) method without/with spin orbital coupling (SOC) implemented in the WIEN2k...

In this work, the hydrothermal growth parameters of vertically aligned ZnO nanowire arrays on FTO substrates were optimized for best surface coverage and minimal stacking and entanglement between nanowires for dye-sensitized solar cell (DSSC) application. The concentration of seed layer solution was found to be essential in reducing the stacking ef...

Herein, we present the development and characterization of Yttrium oxide (Y₂O₃) films and Al/Y₂O₃/n-Si heterojunction diodes at various substrate temperatures using a low-cost facile jet nebulizer spray pyrolysis (JNSP) technique. The X-ray powder diffraction (XRD) pattern proved polycrystalline films of Y₂O₃ with a cubic structure. Field emission...

Photonic devices based on perovskite materials are considered promising alternatives for a wide range of these devices in the future because of their broad bandgaps and ability to contribute to light amplification. The current study investigates the possibility of improving the light amplification characteristics of CsPbBr3 perovskite quantum dot (...

Herein, we present the effect of ethylene glycol (EG) concentration on the size of CdO–NiO–Fe2O3 nanocomposites with the intention to enhance their structural and optical properties for antibacterial activity. The self-combustion method was used to prepare trimetal oxide (TMO) nanocomposites. Structural and morphological properties of the prepared...

Photocatalytic degradation of pollutants and disinfection of pathogens under sunlight is a propitious approach to solve the problem of environmental pollution. Herein, we fabricated a series of heterostructure nanocomposites (NCs) by the incorporation of 5% [email protected] nanoparticles (NPs) with diverse contents (10–75 wt%) of graphitic carbon...

In this work, ZnO nanosheet-nanowire morphology tuning could be achieved by simply changing the NaOH concentration in a low-temperature chemical bath. Our method produces nano/microstructures ranging from nanorods/nanowires with a wide range of diameters (∼20nm-4µm) and aspect ratios (∼ 1-20) to nanosheets with different dimensions. Photoluminescen...

The successive ionic layer adsorption and reaction (SILAR) technique has been used to prepare silver and cobalt dual doped CdS thin films with a total doping percentage of 10%. Structural and optical properties were investigated for all prepared thin films. X-ray diffraction (XRD) of CdS thin films explored the amorphous structure of all samples. T...

Visible light photodetector is one of the rapidly growing fields in optoelectronics. We report investigation of photoelectrical properties of visible lateral photodetectors based on pure CdS, Mg or Al doped CdS and Mg+Al co-doped CdS thin films prepared by the spray technique. The CdS phase purity was confirmed by X-ray diffraction and Raman studies...

Chromium oxide supported on mesoporous organo-silica (MOS) was synthesized with different Cr loading by an incipient method. The catalytic performance of a Cr(x)/MOS catalyst for CO2-based ethane dehydrogenation was investigated. The synthesized catalysts were characterized by XRD, BET, TEM, SEM, XPS, FTIR, and UV–Vis DR measurements. The textural...

Perovskite quantum dots (PQDs) have emerged as promising competitive materials for optoelectronics and future energy applications. In this work, high-quality PQD thin films fabricated directly from the powdered form of CsPb(Br1-xClx)3 compositions were investigated. Tunable light emission was achieved via (in general) composition modulation through...

The influence of SiO2/TiO2 nanocomposites (STNCs) content on the photoelectric properties of a PFO/MEH-PPV/F7GA ternary hybrid thin film was investigated. A solution blending method was utilized to prepare the ternary hybrid nanocomposites which was then spin coated to make thin films. Tuning of the dual Förster resonance energy transfer (FRET) par...

Lead‐free double perovskites are promising materials for environmental friendly photovoltaics and other optoelectronics. In this article, optical, thermoelectric, and thermodynamic properties of Rb2Pd(Cl/Br)6 are explored by modified Becke and Johnson potential. The Goldschmidt tolerance factor (0.90‐1.04) ensures the cubic phase is structurally st...

The influence of SiO2/TiO2 nanocomposites (STNCs) content on non-radiative energy transfer (Förster-type) from poly (9,9′-dioctylfluorene-2,7-diyl) (PFO) to poly [2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV) using steady-state and time-resolved photoluminescence spectroscopies was investigated at room temperature. The improved ene...

High-quality inorganic cesium lead halide perovskite quantum dot (CsPbBr3 PQD) thin films were successfully deposited directly from a powdered source and used as an active laser medium following the examination of their distinctive surface and structural properties. To determine the suitability of the CsPbBr3 PQDs as an active laser medium, amplifi...

Lead (Pb)‐free bismuth (Bi) halide perovskites are promising alternatives to Pb‐based ones for the fabrication of perovskite solar cells (PSCs). However, the energy‐level mismatch at the interface between Bi perovskite (CsBi3I10;CBI) and the charge carrier transport layer limits the performance of the PSCs. Here, spray pyrolysis processed nickel ox...

A successful flash combustion synthesis of NiO spherical nanoparticleswith various contents of lanthanum (La) doping ([email protected] SNPs) with remarkably enhanced dielectric and electrical properties is reported. Single phase has been confirmed through X-ray diffraction and FT-Raman spectroscopic analyses. Increasing La content in NiO reduced t...

The current work examines the effects of cesium lead bromide (CsPbBr3) perovskite quantum dots (PQDs) on the structural and optical properties of conjugated polymer blends of poly[2-methoxy-5-(2′-ethylhexyloxy)-1,4-phenylene vinylene] (MEH–PPV) and poly(9,9-di-n-octylfluorenyl-2,7-diyl) (PFO). MEH–PPV/PFO composite thin‑films containing PQDs with w...

The optical properties of inorganic cesium lead bromide perovskite quantum dots (CsPbBr3-PQDs) make them particularly suitable for use as semiconductors. However, surface defects limit the performance of PQDs-based materials and devices. Consequently, this study investigated a surface passivation approach using a special polymer coating under stand...

The optical and optoelectronic properties of poly [2-methoxy, 5-(2-ethylhexoxy)-1, 4-phenylenevinylene] (MEH-PPV) hybrid thin films containing various amounts of SiO2/TiO2 nanocomposites (STNCs) have been investigated. The solution-blending method was used to prepare all the nanocomposite materials. We found significant quenching of the MEH-PPV emi...

Several inorganic perovskites of iodine, bromine, and chlorine halides have emerged as candidates for various optoelectronic devices. High-quality CsPb(I1-xBrx)3 and CsPb(Br1-xClx)3 (x = 0.00, 0.25, 0.50, 0.75, and 1.00) inorganic perovskite thin films were prepared in this study using a thermal evaporation system. Experiments and first-principles...

High-quality inorganic cesium lead halide perovskite CsPb(Br0.5Cl0.5)3 thin films were successfully achieved through evaporation of the precursors and deposition sequentially by a single-source thermal evaporation system. The different melting points of the precursors were enabled us to evaporate precursors one by one in one trip. The resulting fil...

Organic–inorganic halide organometal perovskites have demonstrated very promising performance in optoelectronic applications, but their relatively poor chemical and colloidal stability hampers the further improvement of devices based on these materials. Perovskite material engineering is crucial for achieving high photoluminescence quantum yields (...

High-quality thin films were obtained directly by spin-coating glass substrates with suspensions of powdered cesium lead bromide (CsPbBr3) perovskite quantum dots (PQDs). The structural properties of the films were characterized via transmission electron microscopy (TEM), energy-dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD) analysis,...

We developed a new strategy for the molecular engineering of organic D-p-A sensitizers for dye-sensitized solar cell (DSSC) applications. Different from the synthesis of organic D-p-A dyes by conventional CC coupling method, the present approach highlights the construction of D-p-A backbone via sequential condensation reactions. This approach avoid...

This paper reports the preparation of cadmium sulfide (CdS) thin films using a nebulizer spray pyrolysis technique by varying gadolinium content in the range of 0–5 wt.%; their characterization is also described. In this study, the effect of Gd concentration on structure, vibrational, optical linear, and nonlinear properties is investigated. The XR...

The triplet energy transfer mechanism of novel poly(9,9-di-n-octylflourenyl-2,7-diyl) (PFO)/poly[2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene] (MEH-PPV)/CsPbBr3 perovskite quantum dot (PQD) hybrid thin films was comprehensively investigated. The concentrations of PFO and MEH-PPV in all the specimens were fixed, while the PQD content was vari...

The effect of TiO2 nanoparticles on the photophysical properties of ternary conjugated polymer (CP) blends of poly(9,9-dioctylfluorene-2,7-diyl) (PFO), poly 9,9-dioctylfluorene-alt-benzothiadiazole (F8BT) and poly(2-methoxy-5(2-ethylhexyl)-1,4 -phenylenevinylene (MEH-PPV) thin films was investigated. This ternary blend used a fixed amount of PFO as...

Bismuth based perovskites are emerging as a candidate for photovoltaic application due to their low-toxicity, high structural stability and suitable application in photovoltaic applications. Here in this work, bismuth halide perovskite films with the stoichiometric composition of ABi3I10 (A= Cs, FA and MA), are synthesized by one step solution proc...

In this study, methyl ammonium lead Iodide perovskite (CH3NH3PbI3≡MAPbI3) was deposited as a thin planar film on a glass substrate at room temperature using one-step and two-step methods. The effect of each method of preparation on the structural, morphological, and optical properties was investigated. The results show that the average size of the...

The structural, electronic, and optical properties of inorganic CsPb(I1−xBrx)3 compounds were investigated using the full-potential linear augmented-plane wave (FP-LAPW) scheme with a generalized gradient approximation (GGA). Perdew–Burke–Ernzerhof generalized gradient approximation (PBE-GGA) and modified Becke–Johnson GGA (mBJ-GGA) potentials were...

Cesium lead bromide (CsPbBr3) perovskite has recently gained significance owing to its rapidly increasing performance when used for light-emitting devices. In this study, we used density functional theory to determine the structural, electronic, and optical properties of the cubic, tetragonal, and orthorhombic temperature-dependent phases of CsPbBr...

The structural, electronic, and optical features of CsPb(I1-xBrx)3 (x = 0, 0.25, 0.50, 0.75, and 1.0) compounds were evaluated using first-principles calculations based on the full-potential linear augmented plane wave (FP-LAPW). The ground-state properties were examined, with a focus on the structural, electronic, and optical properties of the com...

The successful one pot flash combustion synthesis of ZnO nanoparticles (NPs) with a diverse LA ([email protected]) content was achieved simply and economically. X-ray diffraction confirms the synthesis of ZnO with a hexagonal crystal system. The vibrational bands are positioned at 100, 332, 380, 438 and 583 cm⁻¹ for pure and [email protected] NPs....

The aim of this study is to investigate the optical and structural properties of polymer/perovskite quantum dots (QDs) composite thin films and estimate the applicability of using these blends as active materials in photonic devices. A solution has been utilized, which is processed based on conjugated polymer and perovskite QDs composite films. The...

Dy 2 O 3 is a rare earth oxide having a number of advanced applications in various fields including protective or antireflective coatings. Main objective of this novel research work is to check the effect of Cr and Cu addition on different properties of Dy 2 O 3 and achievement of antireflective thin films with enhanced absorption. Thin films of th...

Herein, novel Ag-doped PbS (Ag:PbS) nanoparticles (NPs) were synthesized via a facile and rapid microwave route. Field emission scanning electron microscopy (FESEM)/energy-dispersive X-ray (EDX) spectroscopy were employed to confirm the homogeneous doping of Ag in PbS. The transmission electron microscopy (TEM) exposed that the PbS NPs were fully e...

Polymer based electronics have recently introduced modern stretchable devices based on polymer technology. Poly methyle mathacrylate is a renowned polymer ordinarily using as photoresist and various other applications. On the other hand, Zinc oxide is famous for its wide band gap semiconducting nature. We are focusing on PMMA-ZnO polymer nanocompos...

Synthesis of pure and 0.1 to 5 wt.% Gd-doped CdS nanoparticles (NPs) was achieved through a modified domestic microwave-assisted route in a short timespan at 700 W power. The formation of hexagonal CdS NPs was verified via X-ray diffraction analysis, and no structural variation was observed except for lattice variation. The size of the crystallites...

In this paper, titanium dioxide (TiO2) thin films, deposited on single crystal Si (111) substrates under different temperature conditions by Atomic Layer Deposition (ALD), have been systematically studied by X-ray diffraction, photoluminescence spectroscopy and spectroscopic ellipsometry methods. X-ray diffraction analysis showed that the prepared...

Mesoporous multi-layered silica-coated luminescent Y2O3:Eu nanoparticles (NPs) were prepared by a urea-based decomposition process, and their surfaces were gradually modified with nanoporous and mesoporous silica layers using modified sol-gel methods. The synthesized luminescent core-shell NPs were characterized thoroughly to investigate their stru...

Scattering (Rayleigh and Raman) and fluorescence are two common light signals that frequently occur together, confusing the researchers and graduate students experimenting in molecular spectroscopy laboratories. This report is a brief study presenting a clear discrimination between the two signals mentioned, employing a common spectrofluorometer su...