Chemistry and Materials Science

Sort by

Article
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Chih-Hsi Peng,

Yi-Cheng Lin

Abstract: This study utilized SCAPS-1D solar simulation software to model how different hole transport layers (HTLs) affect the photoelectric conversion efficiency (PCE) of CsPbI₂Br perovskite solar cells under indoor low-light conditions. Simulation parameters include 300 K working temperature, white LED light source with 560 lux illuminance, 5700 K color temperature, equivalent to 0.661 mW/cm² power density. The investigation explores the influence of layer thickness and defect concentration on performance to identify optimal parameters. Simulation results revealed that among eight hole transport materials (CuSCN, Cu₂O, CuI, NiO, MoS₂, PTAA, P3HT, Spiro-OMeTAD), CuI achieved the best performance with open-circuit voltage (Voc) of 1.22 V, short-circuit current density (Jsc) of 0.153 mA/cm², fill factor (FF) of 83.84%, and PCE of 23.66%. Analysis of HTL and absorption layer thickness, bulk defect concentration, interface defect density, and HTL-free scenario showed that interface defect concentration and absorption layer parameters have greater influence than HTL thickness. Under optimized conditions of 0.87 μm absorption layer thickness, defect concentration of 10¹⁵ cm⁻³, and interface defect concentration of 10⁹ cm⁻³, PCE reached 26.13%, while the HTL-free structure achieved 19.57%. This study demonstrates that CuI as HTL provides excellent efficiency for CsPbI₂Br perovskite solar cells and highlights their potential in indoor low-light power generation applications.
Article
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Dafne Rubi Porras-Herrera,

Debany Yulissa Rincón-Salazar,

María Teresa Maldonado-Sada,

José Adalberto Castillo-Robles,

Carlos Adrián Calles-Arriaga,

Enrique Rocha-Rangel

Abstract: Titanium dioxide can be employed in different photocatalytic and solar energy conversion applications due to its abundance, non-toxicity, and chemical stability. Undoped and Cu-doped TiO2 powders were synthesized using the powder method. The characteristics of the prepared photocatalysts-material were determined by XRD, SEM, absorbance and chemical analysis. XRD analysis showed the formation of TiO2 in its anatase and rutile phases. Sphere-like shapes with sizes of 100 nm were inferred from SEM images. The photocatalytic tests revealed that the Cu-doped TiO2 nanoparticles exhibited high photocatalytic activity in degrading contaminated water. This enhancement can be attributed to the formation of oxygen vacancies, which promote the photodegradation of organic compounds.
Article
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

T. López-Solenzal,

J.L. Sanchez Llamazares,

J.L. Enríquez-Carrejo,

C.F. Sánchez-Valdés

Abstract: This study employs DFT+U calculations to investigate the ferromagnetic properties of ErAl2 and ErNi2 Laves phases under an external hydrostatic pressure P (0 GPa ≤ P ≤ 1.0 GPa). The calculated magnetic moments per formula unit for both crystalline structures align with experimentally reported values: 4.40 μB/f.u. in the hard magnetization < 001> axis for ErAl2 and 5.56 μB/f.u. in the easy magnetization < 001> axis for ErNi2. The DFT results indicate that the magnetic moment remains unchanged up to 1 GPa of hydrostatic pressure, with no structural instabilities observed, as evidenced by a nearly constant formation energy for ErAl2 and ErNi2 alloys. The simulations confirm that the magnetic behavior of ErAl2 is primarily driven by the electrons localized in the f orbitals. In contrast, for ErNi2, both d and f orbitals significantly contribute to the total magnetic moment. Finally, the electronic specific heat coefficient was calculated and reported as a function of hydrostatic pressure up to P = 1.0 GPa for each Laves phase.
Article
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Yuanxiang Feng

Abstract: This study presents a compact gamma-ray detector based on all-inorganic halide perovskite CsPbBr3, targeting high energy resolution and low-cost fabrication for nuclear security applications. The active layer was prepared via solution-based spin-coating, combined with surface passivation and multidimensional heterojunction engineering to enhance the carrier mobility–lifetime product (μτ) to 10-3 cm2/V. The optimized device achieved an energy resolution of 4.3% at 662 keV (FWHM), approaching the performance of CdZnTe detectors while reducing fabrication cost by over 70%. A convolutional neural network (CNN) was further integrated for energy spectrum deconvolution and source classification, enabling millisecond-level response and accurate identification. The final system features low power consumption (<100 mW), miniaturized packaging, and robust environmental stability, making it suitable for real-time deployment in field scenarios such as customs inspection and radiological emergency response.
Article
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Ilze Aulika,

Patricija Paulsone,

Sven Oras,

Jelena Butikova,

Margarita Anna Zommere,

Elina Laizane,

Aivars Vembris

Abstract: The thermal behavior of a three-layer structure – glass/ITO/TAPC/CBP/BPhen – in an OLED system was investigated using in situ spectroscopic ellipsometry during controlled heating from room temperature to 120°C over 60 minutes, simulating the ageing process and analysing degradation kinetics. Variations in Ψ and Δ spectra were observed across the entire 0.7-5.9 eV spectral range, with five distinct anomalies, particularly in the UV region. An anomaly at approximately 66°C is attributed to the glass transition temperature Tg of BPhen, while another two at around 82°C and at around 112°C correspond to the first-order phase transition of TAPC, and Tg of CBP, respectively. The origins of the remaining anomalies at 91°C and 112°C are explored in this study, with a focus on interphase layer formation and morphological changes that emerges during heating. These findings provide insights into the stability of OLEDs under thermal stress.
Review
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Mohamed Salaheldeen,

Valentina Zhukova,

Juan Mari Blanco,

Julian Gonzalez,

Arcady Zhukov

Abstract: This review article provides an in-depth analysis of recent advancements in the fabrication, structural characterization, and magnetic properties of Heusler alloy glass-coated microwires, focusing on Co₂FeSi alloys. These microwires exhibit unique thermal stability, high Curie temperatures, and tunable magnetic properties, making them suitable for a wide range of applications in spintronics, magnetic sensing, and biomedical engineering. The review emphasizes the influence of geometric parameters, annealing conditions, and compositional variations on the microstructure and magnetic behavior of these materials. Detailed discussions on the Taylor-Ulitovsky fabrication technique, X-ray diffraction (XRD) analysis, and scanning electron microscopy (SEM) provide insights into the structural properties of the microwires. The magnetic properties, including room-temperature behavior, temperature dependence, and the effects of annealing, are thoroughly examined. The potential applications of these microwires in advanced spintronic devices, magnetic sensors, and biomedical technologies are explored. The review concludes with future research directions, highlighting the potential for further advancements in the field of Heusler alloy microwires.
Article
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Haoning Sun,

Hui Deng,

Jiawei Zhang,

Tongsheng Xia,

Xiangfen Wang

Abstract: Fano-resonant silicon metasurfaces exhibit extreme planar chirality, offering tremendous potential for miniaturized optical devices. However, achieving ultra-high quality factor (Q) resonance in such devices remains challenging. Here, we construct a fractal pentamer all-dielectric metasurface, of which the scale factors of second-order fractals are designed differently to introduce asymmetry. This asymmetry transforms symmetry-protected bound states in the continuum (BIC) into quasi-BIC (QBIC), achieving ultra-high Q factor Fano resonances.Magnetic dipole (MD) and transverse dipole (TD) BIC can be supported in this system, thus produce extremely narrow linewidth Fano resonances. By optimizing the asymmetric state, ultrahigh Q factor up to 4×104 is reached. We numerically obtain bulk sensitivities of 1.905 μm/RIU and figures of merit (FOM) up to 5625.5. The constructed resonances are insensitive to x and y polarizations due to the specific layout of clusters proposed here. Therefore, the proposed all-dielectric metasurface demonstrates good performance in refractive index sensing, which inspires the development of new high Q factor refractive index sensors for the nondestructive identification in the far-infrared regime.
Article
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Ada John

Abstract: Chiral-plasmonic hybrid nanostructures have emerged as a promising class of materials with the potential to revolutionize sensing and optical computing applications. These hybrid systems combine the unique optical properties of plasmonic materials with the distinct chiroptical responses of chiral structures, leading to enhanced control over light-matter interactions. This paper explores the design, fabrication, and functionalization of chiral-plasmonic nanostructures with a focus on controlled optical binding-an approach that allows precise manipulation of light at the nanoscale. By leveraging the interplay between plasmonic resonances and chirality, we demonstrate how these hybrid systems can be utilized for high-sensitivity sensing applications, such as biosensing and environmental monitoring. Additionally, we discuss their potential in optical computing, where controlled optical binding can facilitate efficient data processing and transmission in next-generation photonic circuits. This work highlights the promising future of chiral-plasmonic hybrid nanostructures in advancing both sensing technologies and optical computing paradigms.
Article
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Billy Elly

Abstract: The manipulation of optical forces at the nanoscale has significant implications for nanophotonics, optical trapping, and advanced material design. This study explores the enhancement of optical repulsion in nano-dimers by optimizing the surrounding background media and leveraging wave engineering techniques. By systematically tailoring the refractive index and electromagnetic properties of the medium, we demonstrate an increase in the repulsive optical forces between coupled nanoparticles. Additionally, we investigate the role of structured light fields, including phase and polarization engineering, in modulating these interactions. Our findings provide insights into the fundamental mechanisms governing optical repulsion and open new avenues for designing non-contact optical manipulation strategies with potential applications in optical tweezers, nanofabrication, and biomedical engineering.
Article
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Nivaldo Freire Andrade Neto,

Onecima B.M. Ramalho,

Marcio D. Teodoro,

Mauricio R. D. Bomio,

Fabiana V. Motta

Abstract: In this study, CdWO4/CdMoO4 heterostructures were synthesized using the microwave-assisted hydrothermal method, characterized, and evaluated for their photocatalytic properties. The samples were analyzed using X-ray diffraction (XRD), Raman and ultraviolet-visible (UV-Vis) spectroscopy, field-emission scanning electron microscopy (FESEM), and photoluminescence (PL). The photocatalytic performance was assessed using methylene blue as a model pollutant. XRD patterns and Raman spectra confirmed the formation of heterostructures containing the Wolframite phase of CdWO4 and the Scheelite phase of CdMoO4. FESEM micrographs revealed that the CdWO4 phase exhibits a plate-like morphology, while the CdMoO4 phase consists of irregular nanoparticles. Photocatalytic tests demonstrated that the 20Mo sample exhibited the best performance, degrading 96% of the dye after 2 h of reaction. The findings of this study indicate that CdWO4/CdMoO4 heterostructures hold significant potential for photocatalytic applications in the degradation of cationic dyes.
Review
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Giancarlo C. Righini,

Maurizio Ferrari,

Anna Lukowiak,

Guglielmo Macrelli

Abstract: The recent fast advances in consumer electronics, especially in cell phones and displays, have led to the development of ultrathin, hence flexible, glasses. Once available, such flexible glasses have proven to be of great interest and usefulness in other fields, too. Flexible photonics, for instance, has quickly taken advantage of this new material. At first sight, “flexible glass” appears to be an oxymoron. Glass is, by definition, fragile and highly breakable: its structure has puzzled scientists for decades, but it is evident that in most conditions it is a rigid material, so how can it bend? This possibility, however, has aroused the interest of artists and craftsmen since ancient times: thus, in Roman times the myth of flexible glass was born. Furthermore, the myth appeared again in the Middle Age, connected to a religious miracle. Today, however, flexible glass is no more a myth but a reality, due to the fact that current technology permits to produce micron-thick glass sheets, and any ultrathin material can be bent. Flexibility is coming from the present capability to manufacture glass sheet at a tens of microns thickness coupled with the development of strengthening methods; it is also worth highlighting that, at nanometric scale, silicate glass presents plastic behavior. The most significant application area of flexible glass is consumer electronics, for the displays of smartphones and tablets, and for wearables, where flexibility and durability are crucial. Automotive and medical sectors are also gaining importance. A very relevant field, both for the market and the technological progress, is solar photovoltaics; mechanical flexibility and lightweight have allowed solar cells to evolve toward devices that possess the advantages of conformability, bendability, wearability, and moldability. The mature roll-to-roll manufacturing technology also permits to achieve high-performance devices at low cost. Here, a brief overview of the history of flexible glass and some examples of its application in solar photovoltaics are presented.
Concept Paper
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Muhammad Usman

Abstract: This perspective article describes our vision and proposal for the design and implementation of organic topological materials by using machine learning approach. We propose integrating advanced machine learning approaches with the state-of-the-art electronic simulation techniques to accelerate the discovery of organic topological materials which can lead to a new era of technologies in dissipationless nanoelectronics, solid-state spintronics, and quantum computing.
Review
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Yan Tian,

Hao Liu,

Jing Li,

Fei Liu,

Baodan Liu

Abstract: With the rapid development of high-speed imaging, aerospace, and telecommunications, high-performance photodetectors across a broadband spectrum are urgently demanded. Due to abundant surface configurations and exceptional electronic properties, two-dimensional (2D) materials are considered as ideal candidates for broadband photodetection applications. However, broadband photodetectors with both high responsivity and fast response time remain a challenging issue for all the researchers. This review paper is organized as follows. Section I introduces the fundamental properties and broadband photodetection performances of transition metal dichalcogenides (TMDCs), perovskites, topological insulators, graphene, and black phosphorus (BP). This section provides an in-depth analysis of their unique optoelectronic properties and probes the intrinsic physical mechanism of broadband detection. In Section II, some innovative strategies are given to expand the detection wavelength range of 2D material-based photodetectors and enhance their overall performances. Among them, chemical doping, defect engineering, heterostructure construction, and strain engineering way are found to be mor effective for improving their photodetection performances. The last section addresses the challenges and future prospects of 2D material-based broadband photodetectors. Furthermore, to meet the practical requirements for very large-scale integration (VLSI) applications, their work reliability, production cost and compatibility with planar technology should be paid much attention.
Review
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Dilshod Nematov,

Iskandar Raufov,

Anushervon Ashurov,

Sakhidod Sattorzoda,

Tehron Najmiddinov,

Saidjon Nazriddinzoda,

Mufazala Umarzoda,

Khonumgul Yusupova

Abstract: Lead-free perovskites have garnered significant attention as a promising alternative to traditional toxic Pb-containing materials in solar cells. Although lead-based perovskites have achieved high solar energy conversion efficiencies (>25%), their contamination and environmental risks limit their commercial application. Materials based on tin (Sn), bismuth (Bi), antimony (Sb), and germanium (Ge) exhibit the potential to replace lead-based perovskites due to their similar optical and electrochemical properties and lower toxicity. However, key challenges remain, including their lower stability, susceptibility to oxidation (notably Sn2+), and reduced efficiency compared to Pb-based materials. This article reviews recent advancements in the synthesis of lead-free perovskites, methods for improving their structural and functional properties, and their prospects for application in solar cells. The presented review consolidates data on the photovoltaic efficiency, stability, durability, and environmental safety of lead-free perovskites. It discusses their future market potential, emphasizing their environmental friendliness, wide applicability in solar cells, light-emitting devices, neuromorphic systems for artificial intelligence, and microelectronics, as well as scalable production methods that have been developed.The need for further research to optimize their properties and scale up technologies for industrial applications is highlighted.The analysis demonstrates that lead-free perovskites hold substantial promise as a foundation for the next generation of solar cells, providing an environmentally clean and sustainable solution for renewable energy. Nonetheless, addressing the technological challenges related to their stability and scalability is critical for unlocking their full potential.
Article
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Antonio Iacomini,

Davide Sanna,

Marzia Mureddu,

Laura Caggiu,

Costantino Cau,

Stefano Enzo,

Edgar Eduardo Villalobos-Portillo,

Lorena Pardo,

Sebastiano Garroni

Abstract: A 3D-printable, ARDUINO-based multipurpose X-ray stage of compact dimensions enabling in-situ electric field and temperature dependent measurements is put into practice and tested here. It can be routinely applied in combination with a technique of structural characterization of materials. Using high-performance X-ray laboratory equipment, two investigations were conducted to illustrate the device performance. The lattice characteristics and microstructure evolution of piezoelectric ceramics of barium titanate, BaTiO3 (BT), and barium calcium zirconate titanate, with compositions of (Ba0.92Ca0.08)(Ti0.95Zr0.05)O3 (BC8TZ5), were studied as a function of the applied electric field and temperature. The stage is amenable as an off-the-shelf device for a diffraction line in a synchrotron. It provides valuable information for poling piezoceramics and subsequent optimization of their performance.
Article
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Lakshmi Praba,

Yoseob Chung,

Dong Han Kim,

Jae Woong Jung

Abstract:

We herein report enhanced electrical properties of the self-powered perovskite-based photodetectors with high sensitivity and responsivity by applying surface passivation strategy using C60 (fullerene) as a surface passivating agent. The perovskite (CH3NH3PbI3) thin film passivated with the fullerene achieves highly uniform and compact surface, showing reduced leakage current and higher photon-to-current conversion capability. As a result, the improved film quality of the peorvksite layer allows excellent photon-detecting properties including high values of external quantum efficiency (> 95%), responsivity ( > 5 A W−1), and specific detectivity (> 1013 Jones) at zero bias voltage, which surpasses those of the pristine perovskite-based device. Furthermore, the passivated device showed fast rise (0.18 μs) and decay times (17 μs), demonstrating high performance and ultrafast light-detecting capability of the self-powered perovskite-based photodetectors.

Review
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Robert Adam Jackson

Abstract: This article presents a review of the field of potentials-based computer modelling as applied to the doping by lanthanides, of a range of metal oxides and fluorides, with a view to enhancing various properties for optical applications. The following host compounds are considered: BaLiF3, BaY2F8, SrAl2O4 and LiNbO3.
Article
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Qian Wang,

Molang Cai,

Jianfei Gao,

Xiaoxu Sun,

Haokai Zhao,

Wenjun Wang,

John Bell,

Songyuan Dai

Abstract: The phase transition of MAPbI3 during the annealing process has been extensively reported, but there is a lack of research on the preformation of resulting perovskite solar cells (PSCs). Here, we systematically investigated the impact of annealing temperature on the crystal structure of MAPbI3. Our findings reveal that an optimal annealing temperature of 100°C yields high crystallinity and a mixture of tetragonal and cubic phases. Deviating from this temperature range results in incomplete conversion to perovskite material at lower temperatures or formation of only cubic crystal structure above 100°C, leading to degradation at higher temperatures. Theoretical calculations also indicate that the conduction band energy level for the cubic phase is approximately 154 meV lower than that for the tetragonal phase, creating an electron extraction barrier between perovskite and TiO2. Solar cells fabricated with mixed-phase films annealed at 100°C exhibit superior performance with a conversion efficiency of 22.01%, attributed to both energetically favourable crystal structure and excellent crystallinity.
Article
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Xiaoran Yang,

Jiahao Du,

Rui Cai,

Chun Liu

Abstract:

Three cationic Ir(III) complexes 1, 2, and 3 were successfully synthesized and characterized by tuning the position of a phenyl group at the pyridyl moiety in 2-phenylpyridine. All three complexes exhibit typical aggregation-induced phosphorescence emission (AIPE) properties in CH3CN/H2O. The AIPE property was further utilized to achieve highly sensitive detection of 2,4,6-trinitrophenol (TNP) in aqueous media with low limits of detection (LOD) of 164, 176, and 331 nM, respectively. This suggests that the different positions of the phenyl group influence the effectiveness of 1, 2, and 3 in the detection of TNP. In addition, 1, 2, and 3 showed superior selectivity and anti-interference for the detection of TNP and the potential to detect TNP in practical applications. Taking 1 as an example, the changes in the luminescent lifetime and UV-Vis absorption spectra of 1 before and after the addition of TNP, indicate that the quenching process is a combination of static and dynamic quenching. Additionally, the proton nuclear magnetic resonance spectra and spectral studies show that the detection mechanism is photo-induced electron transfer (PET).

Article
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Anna G. Matveeve,

Victoria N. Syryamina,

Vyacheslav N. Nekrasov,

Ekaterina A. Lukina,

Ivan A. Molchanov,

Vitalii I. Sysoev,

Leonid V. Kulik

Abstract:

Photoinduced charge separation at donor-acceptor composites (active layer material of organic solar cells) is an important step of photoelectric energy conversion. It results in formation of the interfacial charge-transfer state (CTS), which is Coulombically bound electron-hole pair. We developed the mathematical procedure of direct quantification of the electron-hole distance on the basis of time-domain pulse electron paramagnetic resonance data, obtained in electron spin echo (ESE) experiment. For an ensemble of CTSs characterized by distribution of electron-hole distance this procedure derives the average electron-hole distance without numerical simulation of the experimental data, which is a superposition of the oscillating functions, corresponding to CTSs with the certain electron-hole distance. This procedure was tested on model distance distributions, yielding very accurate results. The data for highly efficient organic photovoltaic composite PM6/Y6 were also analyzed; the average electron-hole distance within the CTS and its dependence on temperature were determined. This procedure can be useful for tracing small changes in CTS structure during optimization of the donor-acceptor composite morphology, which is tightly related to photovoltaic efficiency of the composite.

of 6

Prerpints.org logo

Preprints.org is a free preprint server supported by MDPI in Basel, Switzerland.

Subscribe

© 2025 MDPI (Basel, Switzerland) unless otherwise stated