A new hybrid structure based Pyranoquinoline-Pyridine derivative: Synthesis, optical properties, theoretical analysis, and photodiode applications

Alosabi A.Q., Al-Muntaser A.A., El-Nahass M.M., Oraby A.H.

• GGA-RPBE as well as FTIR were used to investigate the Na 2 Pc molecule. • Crystal structure was studied by X-ray diffraction. • The investigated Na2Pc thin films exhibit a good absorption with α > 1.5 × 105 cm −1 . • The types of optical transitions were determined as an indirect allowed transition. • Optical gap and Urbach energies were determined as 2.25 and 0.41 eV, respectively. Theoretical and experimental investigations have been carried out on the structural and optical properties of disodium phthalocyanine (Na 2 Pc) thin films prepared using the thermal evaporation method. The optimized geometry structure, vibrational bands and HOMO-LUMO gap were predicted by density functional theory (DFT) computations. FTIR and XRD techniques were utilized to analyze the structural characteristics of Na 2 Pc thin films. XRD exhibited that the Na 2 Pc powder has α -polycrystalline nature with a triclinic structure, whereas the Na 2 Pc thin films have an amorphous structure. The optical properties of different thicknesses films were studied in the wavelength range of 200–2500 nm using the UV–Vis-NIR spectrophotometer. The absorption coefficient of the Na 2 Pc molecules showed four absorption bands in the UV–Vis region. The types of optical transitions were determined by applying the energy band model as an indirect allowed transition. The onset gap, optical gap and Urbach energy were estimated to be 1.31, 2.25 and 0.41 eV, respectively. The results of absorption coefficient and energy gap showed that the Na 2 Pc thin films can be utilized in optoelectronic device applications. The absorption index, k, and refractive index, n, were determined and found to be independent of the film thickness. The dispersion parameters have been evaluated according to a single oscillator model in the non-absorbing region of the spectrum.

Karabulut A., Yıldız D.E., Köse D.A., Yıldırım M.

In this study, the effects of illumination on the electrical properties as well as the structural, optical and photo-electrical properties of organic complex-based photodiodes synthesized with varying amounts of Mn contents were investigated. The thermogravimetric measurement, atomic force microscope images and absorbance measurements were used to determine the structural and optical properties of the produced devices, while current-voltage, capacitance-voltage and transient current measurements were used to determine their electrical properties. From the measurements performed under different light intensities, it is seen that the device has a high sensitivity to light and exhibits photoconductive and photocapacitive behaviors. However, it is another important result obtained that the crucial electrical parameters such as barrier height and ideality factor change with the Mn content and exposed light intensity. In addition, it is seen from the capacitance attributes that the fabricated device is strongly dependent on the frequency and the applied voltage. The band gap value of the synthesized organic complex was determined as 3.82 eV. Atomic force microscope images show that the material has been successfully coated and the roughness on the surface is low. As a result of the experimental studies carried out, the device, in which the manufactured devices are used as the interface layer of the organic complex with Mn content in the ratio of 1: 1, can be used in optoelectronic applications, especially as a photodiode.

Almotiri R.A., Alkhamisi M.M., Wassel A.R., El-Mahalawy A.M.

• Nanostructured safranin O films are successfully deposited. • SO films showed high UV-Vis-NIR absorption. • Linear and nonlinear optical properties of SO films are evaluated. • The SO / p -Si achieved remarkably high photoresponse. • The designed device recorded photovoltaic performance with PCE ∼ 5.2 %. This paper introduces detailed evaluations of the structural and optical properties of thermally evaporated safranin O ( SO ) thin films to fabricate a hybrid organic-inorganic isotype heterojunction solar cell. The structural investigations revealed the polycrystalline nature of films with a smooth homogeneous nanorods-based surface. The measured transmittance, reflectance, and absorbance showed that the deposited film exhibits high absorption features with an energy gap of about 2.21 eV. Moreover, the analyzed dispersion behavior is interpreted in the light of the one-oscillator model, estimating all dispersion parameters and the electronic polarizability. The electrical properties of Ag/ SO / p -Si/Al isotype heterojunction are investigated under dark and illumination. The ideality factor, rectification ratio, reverse saturation current, the barrier height of the engineered heterojunction are extracted. Furthermore, the photovoltaic characteristics are tested under different light intensities, and the current design achieved superior performance with V oc , J sc , and PCE of about 0.803 volts, 8.898 mA/cm 2 5.2 %, respectively.

Khalid M., Arshad M.N., Murtaza S., Shafiq I., Haroon M., Asiri A.M., Figueirêdo de AlcântaraMorais S., Braga A.A.

Non-fullerene (NF)-based compounds have attracted much attention as compared to fullerene-based materials because of their promising optoelectronic properties, lower synthetic cost and greater stability. Usually, the end-capped groups have a promising impact in magnifying the nonlinear optical (NLO) characteristics in the non-fullerene molecules. Based on this, a series of new NLO active non-fullerene molecules (NFAD2-NFAD6) have been established. The non-fullerene molecules (NFAD2-NFAD6) were designed by end-capped modification in acceptor moieties of the reference (NFAR1), while donor and π-bridge moieties were kept the same in the entire series. Quantum chemistry-based calculations at the M06/6-311G(d,p) level were done to determine the NLO characteristics and for other supportive analyses. The acceptor and donor moieties were utilized at the opposite terminals of NFAD2-NFAD6, which proved to be an effective approach in tuning the FMO band gap. Overall the results of natural bond orbital (NBO), density of state (DOS) and transition density matrices (TDMs) analyses supported the NLO properties of the designed compounds. Among all the studied compounds, NFAD4 was proven to be the most suitable candidate due to its promising NLO properties, well supported by a lower bandgap of 1.519 eV and a maximum absorption wavelength of 999.550 nm. Therefore, NFAD4 was reported with greater amplitude of dipole polarizability (10.429 e.s.u), average polarizability (2.953 × 10-22 e.s.u), first hyperpolarizability (13.16 × 10-27 e.s.u.) and second hyperpolarizability (2.150 × 10-31 e.s.u.) than other derivatives and NFAR1. Subsequently, the present study depicted the significance of utilizing different non-fullerene (NF)-based acceptor moieties to achieve the promising NLO material. This computational study may lead towards new plausible pathways for researchers to design potent NLO substances for impending hi-tech applications.

Alshahrie A., Al-Ghamdi A.A., Abdel-wahab M.S., Mahmoud W.E.

A new series of co-sputtered Cu 1-x Ti x O films and diodes have been scrutinized. The Cu 1-x Ti x O films are grown onto quartz and Si substrates via a co-sputtering approach. The X-ray analysis revealed that the as-sputtered Cu 1-x Ti x O films show ( 1 ¯ 11) preferential orientation. The grain size depends on the amount of Ti-ions doped into the CuO films. The surface morphology showed that the Ti-ions govern the surface roughness of the CuO films. The sputtered films showed high transmittance reaches 87% and low reflectance around 8%. The optical bandgap decreases from 1.23 ​eV to 1.03 ​eV as a result of the incorporation of Ti-ions in the Cu-sites. The ideality factor, barrier height, and the series resistance of the constructed Ag/Cu 1-x Ti x O/n-Si diodes are determined using thermionic emission and Norde models. The optoelectronic properties of Ag/Cu 0.99 Ti 0.01 O/n-Si photodiode were emphasized. This photodiode showed high photosensitivity with fast photo-response and high reproducibility and stability. • A new series of co-sputtered Ag/Cu 1-x Ti x O/n-Si Schottky diodes have been prepared. • The inclusion of the Ti-ions in the Cu-sites increases the grain size and then decreases. • The inclusion of Ti-ions up to 1 ​mol%, decreases the optical bandgap from 1.23 ​eV to 1.03 ​eV. • The Ag/Cu 0.99 Ti 0.01 O/n-Si achieving a detection sensitivity of 1.1 ​× ​10 −5 ​A ​mW. • This photodiode exhibits a response time of 1s and recovery time of 2s with high reproducibility and photo-stability.

Yeşildağ A., Erdoğan M., Medetalibeyoğlu H., Horoz S.

Herein, tetraethoxymethyl, diphenyl, and dipyrenyl units have been fused with biphenyl group, via diimine bond, resulting in 3 (2 novel) benzidine derivatives 2, 4a-b. The derivatives were successfully synthesized by condensation of three different aldehydes (formaldehyde, benzaldehyde 3a, and pyrenecarboxaldehyde 3b) with benzidine in high yields. Structural identifications of the newly obtained compounds are determined by NMR, IR, UV–Vis, and HRMS spectroscopic techniques. Then, the photovoltaic properties of the organic compounds were investigated. To obtain insight into the geometric, electronic, and spectroscopic features of compounds 2, 4a-b, theoretical calculations were performed utilizing the B3LYP/6–311G(2d,2p) basis set. Theoretical 1H and 13C NMR resonance signals of compounds 2, 4a-b were estimated in the gas phase and the IEFPCM model in solvent field calculations utilizing the GIAO method at the B3LYP/6–311G(2d,2p) level and showed excellent correlation with the experimental results. A comparison of computed and experimental vibrational frequencies was performed, and significant bands were allocated. The results showed that experimental and theoretical IR frequencies had a good correlation (R2=0.9997 (2), 0.9996 (4a), and 0.9940 (4b)). To explain the relationship between the molecular structure of the compounds and photovoltaic properties, density functional theory (DFT) and its time-dependent form (TD-DFT) were utilized. The HOMO-LUMO energies and energy gap (Eg) helped understand optimal energy levels for electron absorption and transfer. The calculated band-gap of compounds 2, 4a-b were 4.705, 3.679, and 3.006 eV, respectively. The power conversion efficiency (PCE) values for the compounds 2, 4a-b were also calculated as 2.25, 2.70, and 2.80%, respectively. Compared to compounds 2 and 4a, dipyrenyl-bearing benzidine derivative 4b showed a larger redshift in the absorption wavelength with a remarkable high PCE value along with a low Eg value, which can be attributed to the greater stability of 4b due to the extended π-conjugation.

Saifi A., Joseph J.P., Singh A.P., Pal A., Kumar K.

The chemistry of the host-guest complex formation has received much attention as a highly efficient approach for use to develop economical adsorbents for water purification. In the present study, the synthesis of three β-cyclodextrin (β-CD) inclusion complexes with the oil orange SS (OOSS) azo dye as a guest molecule and their potential applications in water purification are described. The complexes were synthesized by the coprecipitation method and characterized by Fourier transform infrared (FTIR) spectroscopy, UV-vis spectroscopy, X-ray diffraction (XRD), thermogravimetric analysis (TGA), and differential scanning calorimetry (DSC). FTIR and thermal analyses confirmed the encapsulation of OOSS dye within the hydrophobic cavity of β-CD. The encapsulation of hydrophobic dye inside the β-CD cavity was mainly due to the hydrophobic-hydrophobic interaction. The results showed that the stability of the OOSS dye had been improved after the complexation. The effect of three different compositions of the host-guest complexes was analyzed. The present study demonstrated that the hydrophobic dye could be removed from aqueous solution via inclusion complex formation. Thus, it can play a significant role in removing the highly toxic OOSS dye from the industrial effluent.

Ramadan M., Abd El-Aziz M., Elshaier Y.A., Youssif B.G., Brown A.B., Fathy H.M., Aly A.A.

Pyrano[3,2-c]quinoline derivatives have been synthesized and utilized to obtain various new hetero-annulated triazolopyrimidine, containing quinoline, pyran, 1,2,4-triazine and pyrimidine in good yields. Newly synthesized compounds have been characterized by spectral data and elemental analysis. Most of the synthesized compounds showed moderate to weak antiproliferative activity on most cancer cell lines, especially leukemia and breast cancer cell lines. The open chain formimidic acid ethyl ester is slightly more potent than hetero-annulated systems. The most active compounds were further investigated for caspase activation, Bax activation and Bcl-2 down regulation compared to doxorubicin as a standard, and indeed exhibited mainly cell cycle arrest at the Pre-G1 and G2/M phases. The transcription effects of 5a and 5b on the p53 were assessed and compared with the reference doxorubicin. The results revealed an increase of 12–19 in p53 level compared to the test cells and that p53 protein level of 5a and 5b was significantly inductive (991, and 639 pg/mL, respectively) in relation to doxorubicin (1263 pg/mL)

Farag A.A., Halim S.A., Roushdy N., Badran A., Ibrahim M.A.

• Nanostructured of MTIMPQ was synthesized and well-characterized. • Molecular orbital and structure optimization were achieved by using DFT analysis. • Thin films of MTIMPQ showed direct allowed energy gap of 2.77 eV. • A significant device performance and photodiode characteristics were discussed. This paper attempts to show a correlation between the structure of a novel quinolone derivative and the optical applications of the prepared devices. Currently, condensation reaction of 6-methyl-4,5-dioxo-5,6-dihydro-4 H -pyrano[3,2-c] quinoline-3-carboxaldehyde ( 1 ) with 4-amino-6-methyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2 H )-one ( 2 ) gave a new Schiff base; 6-methyl-3-{[(6-methyl-5-oxo-3-thioxo-2,5-dihydro-1,2,4-triazine-4(3 H )-yl)imino]methyl}-4 H -pyrano[3,2- c ]quinoline -4,5(6 H )-dione ( MTIMPQ, 3 ). Debt ( MTIMPQ, 3 ) was inferred based on an accurate spectral element analysis and spectral data. The unique simulation characteristics of the MTIMPQ were achieved by density function theory, DFT and TD-DFT/ B3LYP, using a baseline group 6-311++ G (d, p). Thin films of MTIMPQ were prepared with a low-cost, high-quality topography, examined by scanning electron microscopy and X-ray diffraction. The optical parameters of the films were obtained from the spectrophotometric investigation, which has a great role in the photodiode application. By correlating the fundamental absorption through the visible and UV-spectra with the optical band gap, the value of the energy gap of MTIMPQ is found to be 2.70 eV and confirmed by various methods. Moreover, the J-V properties of the MTIMPQ film-based devices were investigated in the dark and under various illuminations, and distinct response to incident light was obtained, confirming the possibility of using the prepared devices for photodetector applications.

Jalali T., Arkian P., Solati Z., Jalali M.

Alsharari A.M., Darwish A.A., Rashad M.

Porphyrin compounds are novel nonlinear materials that are being used in a wide range of optoelectronic applications. In this article, a film of 2,7,12,17-tetra-tert-butyl-5,10,15,20-tetraaza-21H,23H-porphine (TTBTP) was produced by a thermal evaporation technique. IR analysis confirmed that this method is an excellent method to obtain unassociated TTBTP films. The surface topography of the TTBTP was characterized by large spherical granules with a mean diameter of 50 nm. Also, using X-ray diffraction analysis, the size of the crystallite was estimated to be 18.20 nm. Moreover, optical absorption analysis showed that TTBTP films have indirect transition energy with two energy gaps of 1.80 ± 0.03 and 2.95 ± 0.03 eV. The electrical analysis showed that TTBTP film is a semiconductor material with two conduction mechanisms. These two mechanisms are extrinsic and intrinsic conductions with activation energies of 0.057 ± 0.006 eV and 0.556 ± 0.060 eV, respectively. • Nanostructure films of TTBTP were produced by a thermal evaporation technique. • The size of the crystallite was estimated to be 18.20 nm. • TTBTP films have two energy gaps of 1.80 ± 0.03 and 2.95 ± 0.03 eV. • TTBTP film has a broad UV-VIS absorption that proposes it as photovoltaic devices.

Abdel‐Kader D., Abass M.

Bronstein H., Nielsen C.B., Schroeder B.C., McCulloch I.

Organic semiconductors are solution-processable, lightweight and flexible and are increasingly being used as the active layer in a wide range of new technologies. The versatility of synthetic organic chemistry enables the materials to be tuned such that they can be incorporated into biological sensors, wearable electronics, photovoltaics and flexible displays. These devices can be improved by improving their material components, not only by developing the synthetic chemistry but also by improving the analytical and computational techniques that enable us to understand the factors that govern material properties. Judicious molecular design provides control of the semiconductor frontier molecular orbital energy distribution and guides the hierarchical assembly of organic semiconductors into functional films where we can manipulate the properties and motion of charges and excited states. This Review describes how molecular design plays an integral role in developing organic semiconductors for electronic devices in present and emerging technologies. Many present and emerging electronic devices make use of organic semiconductors in view of their readily tuneable molecular and electronic structures. This Review describes the importance of analytical and computational tools in studying the molecules as well as their hierarchical self-assemblies, in which the motion of charges and excited states govern device properties.

Al-Muntaser A.A., Abdelghany A.M., Abdelrazek E.M., Elshahawy A.G.

Nanocomposite films of polyvinyl chloride/polymethyl methacrylate (PVC/PMMA)/ lithium titanium oxide (Li 4 Ti 5 O 12 ) were prepared through a casting method. The structural features of the prepared films were investigated using XRD, TEM, FTIR, SEM, and UV/Vis. spectroscopy techniques. XRD pattern reveals the formation of the crystalline phase of lithium titanium oxide of average crystallite size 40 nm embedded in the amorphous polymeric matrix. The average crystallite size observed from TEM images is in good agreement with the XRD results. The physical interaction between the PVC/PMMA blend and Li 4 Ti 5 O 12 NPs was confirmed by FTIR through the formation of a hydrogen bond. SEM micrographs showed partial compatibility between the polymer blend and the Li 4 Ti 5 O 12 NPs. UV/Vis. analysis displayed that the values of the optical energy gap are decreased with increasing the concentration of Li 4 Ti 5 O 12 NPs, this means that charge transfer complexes are arising between the polymer blend and Li-ions. The DC conductivity results are explained in the light of an intrachain one-dimensional interpolaron hopping model. The obtained results recommend the choice of Li 4 Ti 5 O 12 NPs as dopants to enhance the electrical properties of virgin PVC/PMMA blend. Also, nanocomposite films can be employed in different electrochemical and industrial fields such as Li-ion batteries.

Farag A.A., Ibrahim M.A., El-Gohary N.M., Roushdy N.

A new derivative of heteroannulated chromeno[2,3-b]pyridine identified as 5-ethyl-7H,9H-chromeno[3″,2″:5′,6′]pyrido[3′,2′:5,6]pyrano[3,2-c]quinoline-6(5H),7,9-trione (3) (ECPPQT) was easily and efficiently synthesized from DBU catalyzed condensation reaction of 2-aminochromone-3-carboxaldehyde (1) with 6-ethyl-4-hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione (2). Structure of ECPPQT was deduced based on its correct elemental analysis and spectral data (IR, 1H NMR, and mass spectra). The X-ray diffraction patterns of TCVA in powder form show that there are several peaks with different intensities, indicating that the material has a polycrystalline nature. Optical absorption properties of ECPPQT thin films in near ultraviolet, visible and near infrared spectral regions showed characteristic absorption peaks. Optical absorptions were used to determine the characteristic band transitions in the range of 200–1100 nm. Two direct band gaps were calculated and found to be 1.85 and 3.30 eV for the optical and transport energy gaps, respectively. The ECPPQT/p-Si diode performs low photovoltaic characteristics with open circuit voltage of 330 mV, short-circuit current of 37 μA and fill factor of 33%. The phototransient measurements of the device indicate that the device has a good stability and quick response properties.

Moqbel M.S., Ammar A.H., Badran A., Farag A.A.

Farag A.A., Roushdy N., Atta A.A., Alkathiri A.A., Alsufyani S.J., Alharbi A.N., Ammar A.H.

Farag A.A., Roushdy N., Badran A., Atta A.A., Alkathiri A.A., Ibrahim M.A.

The condensation reaction of pyranoquinoline-3-carbaoxldehyde 1 with benzohydraide afforded hydrazone 2 which upon oxidative cyclization yielded 6-ethyl-4‑hydroxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-pyrano[3,2-c]quinoline-2,5(6H)‑dione (EHPOPQ, 3). The DFT and B3LYP/6–311++G(d,p) basis set were used to compute the optimized molecular geometry. The global reactivity descriptors were examined and showed that hydrazone 2 exhibited high softness while aldehyde 1 had more electronegativity and high global electrophilicity. Subsequently, the reactive sites of the present compounds were located by tracing the MEP map. The GIAO method was used to calculate the 1H and 13C NMR. The current comprehensive investigation of the novel (EHPOPQ) reveals its significant potential for applications in nonlinear optics (NLO) and photovoltaics. Through high-level computational methods, EHPOPQ has an exceptionally high first hyperpolarizability (βtot) of 950 × 10−30 esu, which is substantially higher than that of the conventional NLO material urea. This high βtot value suggests that EHPOPQ could dramatically enhance the efficiency and performance of NLO devices such as frequency converters and optical modulators. In parallel, the detailed spectroscopic analysis of EHPOPQ's optical properties provided critical insights for photovoltaic applications. The optical band gap was measured to be 3.07 eV, indicating a direct band gap transition suitable for efficient light harvesting in solar cells. Additionally, dispersion parameters were carefully analyzed, which are essential for understanding the interaction of light with the material. The experimental characterization of EHPOPQ-based photovoltaic devices showed promising results. Current-voltage (J-V) measurements under varying illumination intensities revealed significant enhancements in the device's short-circuit current (from 1.2 µA to 4.3 µA) and open-circuit voltage (from 0.25 V to 0.47 V) as light intensity increased. These findings demonstrate the material's heightened photoresponsivity and suggest its potential as an efficient light conversion material for solar energy applications. These specific findings underline the importance of EHPOPQ in advancing both NLO and photovoltaic technologies, offering a pathway to more efficient and effective devices.

Ammar A.H., Roushdy N., Atta A.A., Alkathiri A.A., Alsufyani S.J., Alharbi A.N., Farag A.A.

Alali I., Ibrahim M.A., Roushdy N., Badran A., Alsirhani A.M., Farag A.A.

Ibrahim M.A., Roushdy N., Atta A.A., Badran A., Farag A.A.

The target indolylidenehydrazinylidenemethyl-pyrano[3,2-c]quinoline (IHMPQ) was synthesized and characterized. The DFT/ B3LYP approach using the 6-311++G(d,p) basis set was used to carry out the quantum computational calculations. The energy values of certain quantum chemical properties were calculated. The molecular electrostatic potential (MEP) and non-linear optical (NLO) characteristics are investigated. The Fukui function was used to forecast the reactive sites for electrophilic and nucleophilic attack using Mulliken population analysis. The calculated NMR chemical shifts were compared to experimental results. Furthermore, the study assessed the drug-likeness of the current compounds and discovered that they adhered to Lipinski's rule of five, making them appropriate for the development of oral drugs. Scanning electron microscopy was used to analyze the topography of the IHMPQ structure. The experimental results revealed a direct allowed energy gap, with values of 2.01 eV and 3.3 eV. Notably, IHMPQ films exhibit remarkable photoluminescence and absorption properties, suggesting their suitability for optoelectronic applications. Moreover, the investigation into the J-V characteristics of IHMPQ film-based devices under diverse illuminations unveiled a distinct response to incident light. This suggests the potential utility of these devices in solar cell applications.

Mohamed N., Alshaye N.A., Mostafa M.A., Badran A., Hussain Z., Ibrahim M.A.

Çavdar Ş., Oruç P., Eymur S., Tuğluoğlu N.

Abstractn-TPA-IFA organic material was synthesized and deposited on p-Si by spin coating method to produce n-TPA-IFA/p-Si heterojunction diode. We determined that the dielectric constant and energy band gap of TPA-IFA organic material were 3.91 and 3.37 eV by DFT/B3LYP/6-311G(d,p) method using on Gaussian 09 W, respectively, and the carrier type of TPA-IFA organic semiconductor material was also n-type at room temperature from temperature-dependent hall effect measurements. Using forward and reverse bias I–V measurements in the dark and under various light intensities, we examined the key electrical characteristics of the n-TPA-IFA/p-Si heterojunction diode, including $${\Phi }_{b}$$ Φ b and $$n$$ n . It was determined that the rectification ratio (RR) was approximately 104. The reverse current's observed increasing behavior with increasing light indicates that the produced heterojunction diode can be utilized as a photodiode, detector, or sensor. The values of n, $${\Phi }_{b}$$ Φ b , and Io were determined using I–V data in dark as 1.34, 0.91 eV, and 7.25 9 10–12 A, respectively. On the other hand, when the n-TPA-IFA/p-Si heterojunction diode is exposed to 100 mW/cm2 illumination, these parameters were obtained as 1.85, 0.80 eV, and 5.11 9 10–10 A, respectively. Photovoltaic parameters such as short circuit current (Isc) and open circuit voltage (Voc) were determined as 0.018 mV, 0.08 A and 0.050 mV, 0.29 A under 20 mW/cm2 light and 100 mW/cm2 light intensity, respectively. The photodetector properties of n-TPA-IFA/p-Si heterostructure were explored at different light intensities, and the photoresponsivity (R), photosensitivity (PS), specific detectivity ($${D}^{*}$$ D ∗ ), and linear dynamic range (LDR) of the heterojunction changed with reverse voltage and light intensity. It was found that as light intensity increased, the linear dynamic range (LDR), a crucial characteristic for image sensors, increased as well (10.15 dB and 18.84 dB for 20 and 100 mW/cm2).

Ibrahim M.A., Badran A., Halim S.A., Roushdy N., Farag A.A.

AbstractThis study successfully and cost-effectively synthesized a novel compound, 3-[(5-amino-1-phenyl-1H-pyrazol-4-yl)carbonyl]-1-ethyl-4-hydroxyquinolin-2(1H)-one (APPQ, 4), which displayed significant potential for various applications and yielded promising outcomes. Theoretical electronic absorption spectra in different media were acquired using the Coulomb-attenuating approach (CAM-B3LYP) and the Corrected Linear Response Polarizable Continuum Model (CLR) PCM. Employing CAM-B3LYP with the 6-311 +  + G(d,p) level of DFT proved to be more accurate than alternative quantum chemical calculation methods, aligning well with the experimental data. Additionally, the CAM-B3LYP method using polarized split-valence 6-311 +  + G(d,p) basis sets and CLR PCM in various solvents exhibited good agreement with the observed spectra. The high stability of APPQ, validated by the computed total energy and thermodynamic parameters at the same calculation level, surpassed that of anticipated structure 3. The theoretically calculated chemical shift values (1H and 13C) and vibrational wavenumbers were strongly correlated with the experimental data. The APPQ thin films demonstrated a band gap energy of 2.3 eV through distinctive absorption edge measurement. Photoluminescence spectra exhibited characteristic emission peaks at approximately 580 nm. Current–voltage measurements on n-Si heterojunction devices with APPQ thin films revealed typical diode behavior. These APPQ-based devices showed attractive photovoltaic properties, including an open-circuit voltage of 0.62 V, a short-circuit current of 5.1 × 10–4 A/cm2, and a maximum output power of 0.247 mW/cm2. Overall, the investigated heterojunctions display appealing photophysical characteristics, encouraging advancements in photovoltaics.