Thermal Optical Properties Research Articles

Investigations on the growth, spectral, optical, electrical, thermal and nonlinear optical properties of L-valine itaconic acid single crystal

A nonlinear optical single crystal of L-Valine Itaconic Acid (LVIA) was grown at room temperature from an aqueous solution by using the slow evaporation method. The grown crystal was undergone X-ray diffraction investigation, which confirm that the crystal belongs to orthorhombic system with the non-centro symmetric Pbca space group. This single crystal contains several functional groups, according to FTIR spectroscopic analysis there were identified. By analyzing the crystal's UV–visible spectrum, based on its optical transparency this crystal may use for optoelectronic device manufacturing. The emission happens at 553 nm wavelength, according to the photoluminescence spectrum. Thermo gravimetric and differential thermal analytical studies helps us to measure title crystal melting point and thermal stability. At various temperatures, the dielectric property of the crystal was found out. The Kurtz-powder method has been used to study the phenomenon of Second Harmonic Generation (SHG) in the crystal.

Mesomorphic thermal stabilities and nonlinear optical properties of fluorine containing liquid crystals

H-bonded liquid crystals (HBLCs) are newly synthesized with PyBF viz., (4-pyridyl)-benzylidene-4′-fluoro aniline as the proton acceptor which is non-mesogenic and alkyloxy benzoic acids viz., nOBAs (n = 3, 12) as the mesogenic proton donors. The H-bond formed is confirmed by FTIR spectroscopy. Polarizing Optical Microscopy confirmed the H-bonded compound’s mesomorphic textures, and the thermal analysis is carried out using a Differential Scanning Calorimeter. The influence of fluorine atom on mesomorphic stability is studied. The nonlinear optical properties of the H-bonded compound is studied using DFT theoretical approach. This work supports the SDG-9 of the United Nations.Graphical abstract

Structural and ultrafast third-order nonlinearities of methyl and methoxy substituted anthracene chalcones: Z-scan, four-wave mixing, and DFT approaches

We report on the structural, thermal, linear, and ultrafast third-order nonlinear optical (NLO) properties of two novel anthracene chalcones: (2E)-1-(anthracen-9-yl)-3-(5-methylthiophen-2-yl)prop-2-en-1-one (5ML2SANC) and (2E)-1-(9-anthryl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one (245TMANC). The chalcones were synthesized by Claisen-Schmidt condensation reaction, and the single crystals were grown by the solvent evaporation method. The molecular structure was confirmed by FTIR and NMR spectroscopy, while the crystal structure was determined using the single crystal XRD. Both crystals belong to centrosymmetric monoclinic crystal system with space group P21/n. The Hirshfeld surface was analyzed to understand intermolecular interactions, and the band structures - including HOMO-LUMO levels, excited state energies, GCRDs and MEPs-were studied using DFT. The ultrafast third-order NLO properties were investigated by Z-scan and degenerate four-wave mixing (DFWM) techniques using Ti: Sapphire amplifier laser delivering ∼50 fs pulses at 800 nm (1 kHz, ∼4 mJ, 2 W). Two-photon absorption, positive nonlinear refraction, optical limiting and optical switching behaviors were observed by Z-scan measurements. The time-resolved DFWM show that the decay time of 5ML2SANC is ∼127 fs, while for 245TMANC it is ∼142 fs. The second hyperpolarizability (γ) measured by Z-scan, DFWM and the estimations from the DFT theory are found to be in good agreement (∼10−34 esu). The ultrafast optical response, significant NLO properties and thermal stability of the synthesized chalcones demonstrate their potential suitability in optical limiting and switching applications.

Preparation and performance study of organic small molecule photovoltaic donor materials in solar cells

Abstract In this study, PDPAT-BDT-BT was used as a donor material, combined with PC61BM and PC71BM as acceptor materials, to prepare a hybrid thin film for organic solar cells. In photovoltaic performance tests, this film shows advantages and good characteristics. The experimental results show that the PDPAT-BDT-BT polymer shows good performance in terms of thermal stability, optical properties, and electrochemical properties. It also shows better photovoltaic performance in the hybrid system with PC71BM, which lays a good foundation for its potential application in organic solar cells.

First-principles study on the electronic structure and photocatalytic properties of novel two-dimensional Janus CrXCN4 (X = Si, Ge)

Abundant studies demonstrate the significant role of Janus-structured two dimensional semiconductors as photocatalytic materials, highlighting their substantial advantages and importance in photocatalysis. In this work, CrXCN4 (X = Si, Ge) Janus monolayers were constructed based on CrC2N4, and the thermal stability, thermodynamic stability, mechanical stability, electronic properties, and optical properties of the monolayers were systematically investigated. Furthermore, an investigation was conducted to examine the impact of biaxial strain on their electronic and light absorption properties. The findings reveal that both monolayers exhibit direct band gap characteristics, with high absorption coefficients for visible light owing to their appropriate band gaps (1.44 eV for CrSiCN4 and 1.15 eV for CrGeCN4, respectively). At compressive strains exceeding 3%, the CrSiCN4 monolayer demonstrates an optimal band edge position, suggesting its potential as a photocatalyst for overall water splitting. Furthermore, as the compressive strain increases, the absorption spectra have blue-shifted and the absorption coefficient becomes higher, exceeding 2 × 105 cm−1 under a −3% compressive strain. Our study highlights the potential applications of CrXCN4 monolayers in the field of optoelectronic device, particularly emphasizing the promising candidacy of CrSiCN4 as an efficient photocatalyst.

Dynamical sensitivity on thermal fluctuations of torsional homogeneous and nonhomogeneous microsystems under the influence of Casimir and electrostatic torques: Nonlinear actuation towards chaotic motion

We have studied how the mechanical Casimir torque between the components of a torsional double beam microdevice under the influence of thermal fluctuations could play significant role on the dynamics of the device, and under what conditions can even lead to chaotic behavior. The influence of thermal fluctuations on the dynamical behavior of torsional microsystems, whether homogeneous or nonhomogeneous, has been revealed through bifurcation and phase diagrams, and Poincare maps. For nonhomogeneous microsystems, the device with low conductivity reveals significant sensitivity to thermal fluctuations. Moreover, it is shown the significant dependence of the optimal voltage distribution, which leads to a significant increase in the stable operation range of the device, on the ambient temperature conditions and the optical properties of the constituent materials. For nonconservative torsional microsystem, the use of the Melnikov method and Poincaré plots have shown how thermal effects increase the probability of chaotic behavior. This is because different temperature enhances the effective Casimir torque and the possibility of chaotic motion. Furthermore, it is illustrated how the use of the optimal voltage distribution, by taking into consideration thermal fluctuations and optical properties, can keep the device away from chaotic behavior. This is because by dividing the electrostatic torques the influence of the effective Casimir torque is reduced. Finally, it is demonstrated that by transforming a homogeneous system into a heterogeneous one, the response of the system to thermal fluctuations is reduced making it possible to avoid to increase the possibility for chaotic behavior by changing the temperature.

Design and thermal–optical evaluation of an optical window module for a near-space remote sensor under ultra-high temperature conditions

Under hypersonic flight conditions, the optical window external surface of a near-space remote sensing system generates a large thermal load due to aerodynamic friction, resulting in serious additional contact thermal stresses and deformation of the flat window. Consequently, the imaging performance of the optical remote sensing system (ORSS) is reduced. To overcome this issue, a flexible support combination structure (FSCS) for an optical window suitable for ultra-high temperature conditions was developed in this study, which ensures the optical imaging quality requirements of the system. Based on the external thermal environment characteristics of a hypersonic aircraft, an aerothermal simulation model of the aircraft with a window component was established. More importantly, the FSCS was optimized and a thermal–structural model of the window component was established, and the opto-mechanical-thermal analysis method was proposed for the ORSS. Finally, the thermal-optical properties of the deformed window were evaluated. The results show that the optimized window component satisfies the optical imaging design requirements, which guides engineers in ultra-high temperature thermal analysis and optical imaging.

The thermal transport, mechanical, and optical properties of T-Cu6S2: The influence of Cu6 clusters

Cluster substitution can effectively regulate the physicochemical properties of two-dimensional (2D) materials and has been applied in fields such as catalysis and magnetism. However, the intrinsic mechanism of its regulation of thermal transport properties and the impact of clusters on optical and mechanical properties are not yet clear. In this work, 2D T-Cu6S2 is obtained by replacing the transition metal element M of 2D T-MS2 with the Cu6 clusters. Then, based on the first-principles method, we systematically studied the thermal transport, mechanical, and optical properties of T-Cu6S2. The results show that introducing Cu6 clusters reduces the phonon vibration frequency, and enhances phonon scattering, that is, the coupling effect of harmonic weakening and anharmonic enhancement. This makes the lattice thermal conductivity of T-Cu6S2 at the four-photon level reduced to 0.18 W/mK (at 300 K), which is much lower than that of traditional 2D T-MS2. In addition, we found that the introduction of clusters changes the crystal and electronic structures of T-Cu6S2, enhances the flexibility and ductility of T-Cu6S2, and increases its transmission ability for visible light and ultraviolet light. This study provides insights into the regulation of multiple properties of 2D materials, which benefits the development of 2D functional materials.

Influence of pH on growth, structural, thermal, linear and nonlinear optical properties of L-asparagine monohydrate single crystal

This report presents investigation on influence of pH on growth, structural, thermal, linear and nonlinear optical properties of L-asparagine monohydrate (LAM) single crystal for the first time. Single crystals of LAM were grown at different pH by solution growth method by allowing slow evaporation of solvent. Crystal grown at pH 6.4 grows slowly as compare to other crystals grown at other pH values. The slight variation in lattice parameters of grown crystals has been confirmed by powder X-ray diffraction study. FT-IR study confirms the presence of functional groups of LAM in all grown crystals. Influence of pH on optical quality of crystals has been discussed. The crystal grown at pH 5.4 has maximum optical transparency and shows 2 and 20 % more transmission than crystals grown at pH 4.4 and 6.4, respectively. Other optical parameters like cutoff wavelength (λmax), band gap (Eg), linear refractive index (n), reflectance, extinction coefficient (k), electrical susceptibility (χ), optical conductivity(σop), electrical conductivity (σel) and Urbach energy (Eu) of all crystals have been evaluated from transmission data. The LAM crystal grown at pH 6.4 show high values of third order nonlinear optical parameters, as compare to other grown crystals, that attest its suitability for applications like higher harmonic generation, optical switching, optical limiting and other photonic applications over other grown crystals. Thermal stability of the grown crystals has been attested by TG-DTA study.

Thermal lens investigation of the CdSe quantum dots using dual beam z-scan technique

We highlighted on the thermal lens (TL) effect of Cadmium Selenide quantum dots (CdSe QDs) using dual beam z-scan technique. The thermal lens nonlinear optical properties of CdSe QDs were investigated by applying the two CW laser beams (λ = 532 nm and λ = 632.8 nm). The thermal lens parameters of the CdSe solutions, such as: the on-axis phase shift (θ), the thermal diffusivity (D), and thermal diffusion time (tc) were extracted using the theoretical thermal lens model. Our results give new insight into the CdSe QDs dissolved in toluene and are valuable for further development of semiconductor QDs optical devices.

Temperature-Decoupled Single-Crystal MgO Fiber-Optic Fabry-Perot Vibration Sensor Based on MEMS Technology for Harsh Environments.

A high-temperature-resistance single-crystal magnesium oxide (MgO) extrinsic Fabry-Perot (FP) interferometer (EFPI) fiber-optic vibration sensor is proposed and experimentally demonstrated at 1000 °C. Due to the excellent thermal properties (melting point > 2800 °C) and optical properties (transmittance ≥ 90%), MgO is chosen as the ideal material to be placed in the high-temperature testing area. The combination of wet chemical etching and direct bonding is used to construct an all-MgO sensor head, which is favorable to reduce the temperature gradient inside the sensor structure and avoid sensor failure. A temperature decoupling method is proposed to eliminate the cross-sensitivity between temperature and vibration, improving the accuracy of vibration detection. The experimental results show that the sensor is stable at 20-1000 °C and 2-20 g, with a sensitivity of 0.0073 rad (20 °C). The maximum nonlinearity error of the vibration sensor measurement after temperature decoupling is 1.17%. The sensor with a high temperature resistance and outstanding dynamic performance has the potential for applications in testing aero-engines and gas turbine engines.

Crystal growth, Hirshfeld analysis, optical, thermal, mechanical, and third-order non-linear optical properties of Cyclohexylammonium picrate (CHAP) single crystal

The organic single crystals of Cyclohexylammonium picrate (CHAP) had been grown using the method of slow evaporation solution growth. A determination was made regarding the solubility of the substance. The crystal's lattice cell parameters and morphology were characterized using single-crystal X-ray diffraction and powder X-ray diffraction techniques. The HRXRD techniques were utilized to assess the crystal quality. The functional groups of CHAP material were identified through the use of FT-IR and FT-Raman analysis. A Hirshfeld surface analysis was performed to investigate the formation of hydrogen bonds between N–H⋯O and C–H⋯O molecules. The grown crystals were examined in optical and thermal investigations utilizing UV–visible and TGA, DSC techniques. Mechanical analysis is used to quantify surface properties, such as work hardening coefficient and void volume. Z-scan analysis was utilized to calculate the non-linear refractive index (n2), nonlinear absorption (β), and third-order non-linear susceptibility (χ3).

Two-dimensional monolayer from organic molecules F4-TCNQ via DFT calculations

Conjugated microporous polymers is a class of organic nanoporous polymers in which the pores can be easily controlled by molecule design. Here we present a new class of 2D structure based on F4-TCNQ molecules. Using ab initio calculations, the possibilities for the formation of such 2D materials based on F4-TCNQ molecules are studied as well. Among considered structures only two were selected as the most preferable for 2D layer formation. Predicted monolayers were analyzed on thermal stability, electronic, optical and mechanical properties. Combination of stability, elasticity and semiconducting band gap make suggested monolayers promising candidate for fabrication of elements of flexible and controllable optoelectronics.

Synthesis, Growth, Photoluminescence, Thermal, and Third-Order Nonlinear Optical Properties of Glycine Methyl Ester Hydrochloride Single Crystal for Opto-Electronic Applications

Synthesis, Growth, Photoluminescence, Thermal, and Third-Order Nonlinear Optical Properties of Glycine Methyl Ester Hydrochloride Single Crystal for Opto-Electronic Applications

Environment-friendly, high-performance cellulose nanofiber-vanillin epoxy nanocomposite with excellent mechanical, thermal insulation and UV shielding properties

With the increased demand for biobased epoxy thermosets as an alternative to petroleum-based materials in various fields, developing environment-friendly and high-performance natural fiber-biobased epoxy nanocomposites is crucial for industrial applications. Herein, an environment-friendly nanocomposite is reported by introducing cellulose nanofiber (CNF) in situ interaction with lignin-derived vanillin epoxy (VE) monomer and 4, 4´-diaminodiphenyl methane (DDM) hardener that serves as a multifunctional platform. The CNF-VE nanocomposite is fabricated by simply dispersing the CNF suspension to the VE and DDM hardener solution through the in-situ reaction, and its mechanical properties and thermal insulation behavior, wettability, chemical resistance, and optical properties are evaluated with the CNF weight percent variation. The well-dispersed CNF-VE nanocomposite exhibited high tensile strength (∼127.78 ± 3.99 MPa) and strain-at-break (∼16.49 ± 0.61 %), haziness (∼50 %) and UV-shielding properties. The in situ loading of CNF forms covalent crosslinking with the VE and favors improving the mechanical properties along with the homogeneous dispersion of CNF. The CNF-VE nanocomposite also shows lower thermal conductivity (0.26 Wm−1K−1) than glass. The environment-friendly and high-performance nanocomposite provides multiple platforms and can be used for building materials.

Synthesis and Structural and Optical Behavior of Dehydrohelicene-Containing Polycyclic Compounds.

Dehydrohelicene-based molecules stand out as highly promising scaffolds and captivating chiroptical materials, characterized by their unique chirality. Their quasi-helical π-conjugated molecular architecture, featuring successively ortho-annulated aromatic rings, endows them with remarkable thermal stability and optical properties. Over the past decade, diverse approaches have emerged for synthesizing these scaffolds, reinvigorating this field, with anticipated increased attention in the coming years. This review provides a comprehensive overview of the historical evolution of dehydrohelicene chemistry since the pioneering work of Zander and Franke in 1969 and highlights recent advancements in the synthesis of various molecules incorporating dehydrohelicene motifs. We elucidate the intriguing structural features and optical merits of these molecules, occasionally drawing comparisons with their helicene or circulene analogs to underscore the significance of the bond between the helical termini.

Synthesis, photophysics and two-photon absorption of imidazole-centred tripodal chromophores.

Tripodal push-pull chromophores with D-(π-A)3 arrangement were synthesized using 1-methyl-2,4,5-triphenyl-1H-imidazole as a central electron donor, and their thermal, electrochemical, photophysical and non-linear optical properties were studied and corroborated with quantum-chemical calculations. Their facile synthesis involved Suzuki-Miyaura and Knoevenagel reactions, allowing the installation of various peripheral electron acceptors such as formyl, cyano, ester, trifluoromethyl and more complex moieties such as malonic/acetic acid derivatives, indan-1,3-dione and rhodanine. All phenyl rings appended at the central imidazole core were more or less twisted depending on the peripheral substitution. Although imidazole undergoes reversible one-electron oxidation, peripheral acceptors are reduced irreversibly in a multi-electron process. This behaviour is further seen as a variation of the LUMO, while the HOMO remained almost unaltered across the whole series. TD-DFT calculations revealed centrifugal charge transfer from the central imidazole to all C2, C4 and C5 branches occupied by the LUMO, LUMO+1 and LUMO+2. The HOMO-LUMO gap is tuneable within the range of 3.55-2.31 eV, while the longest-wavelength absorption/emission maxima were found within the broad range of 304-448/393-612 nm. Although the absorption spectra are solvent-independent, the emission depends strongly on the solvent polarity and the electron-withdrawing power of the peripheral acceptors. Extended chromophores with complex electron acceptors were investigated as two-photon absorbers, revealing relatively good cross-section values of up to 521 GM and a figure-of-merit (ΦF × δ2PA) of around 190 GM.

Improving the properties of polylactic acid/polypropylene carbonate blends through cardanol-induced compatibility enhancement

Cardanol (CD) is used as a reactive compatibilizer, and blended with polylactic acid (PLA) and polypropylene carbonate (PPC) resin (70/30(w/w)) to obtain a series of PLA/PPC/CD blends. The systematic study was conducted on the thermal properties, optical properties, rheological properties, mechanical properties, and microscopic morphology of the blend, by varying amounts of CD added to the blends. A detailed explanation and comprehensive analysis of the reaction mechanism between CD and PLA/PPC have been made. The study found that CD acts as a “bridge” between the PLA and PPC, forming the structure of a block copolymer (PLA-b-CD-b-PPC), and the copolymer can greatly improve the compatibility of PLA and PPC. When the amount of CD reaches 8 wt%, only one Tg is observed in the blend, simultaneously, PLA/PPC has already transitioned from a partially compatible system to a completely compatible system. At the same time, the addition of CD does not have any negative impact on the thermal stability of the PLA/PPC blend under processing temperature conditions, and the thermal stability of the PLA/PPC/CD blends can even be improved under extreme conditions. In addition, the addition of CD allows the PLA/PPC/CD blends to maintain a high light transmittance while reducing the opacity of the blend (the light transmittance remains above 92 %, and the opacity is reduced from 37 % to about 24 %), demonstrating excellent optical properties. Moreover, the elongation at break and impact strength of the PLA/PPC/CD blend both show a trend of first increasing and then decreasing with the increase of CD amount. When the CD amount varies within the range of 6– 8 wt%, the blends undergoes a brittle-ductile transition, and its toughness is greatly improved while the rigidity can also meet practical needs. When the amount of CD in the system increases to 12 wt%, the toughness of the blend reaches its peak, and its elongation at break and impact strength reach 513.24 % and 9211.5 J/m2 respectively (increased to 2442.84 % and 270.73 % of the PLA/PPC blend). Concurrently, the fracture surface of the blend exhibits large-scale plastic flow in the direction of the applied force, with marked shear yield phenomena, showing obvious characteristics of tough fracture.

The bioactive Cathananthus roseus Mediated with urea doped Potassium Hydrogen Phthalate single crystal an effective optical, dielectric, and anticancer activities

Here we report, KHP is a highly versatile inorganic non-linear optical material with a wide range of applications. We describe the growth of Urea doped KHP (potassium hydrogen phthalate) (KUC) by slow evaporation mediated with Cathanranthus roseus extract. The structural, thermal, optical and nonlinear optical properties of the grown crystals were studied using various characterization techniques. It is evident from SXRD analysis that grown crystals crystallise in an orthorhombic crystal system. The FTIR spectrum clearly shows functional groups in the sample and confirms that there are minimal structural distortions due to extracting doping. UV–Visible Spectroscopy examined KUC's optical characteristics. The structural, spectral, and electrical characteristics of the grown crystals were investigated using SEM, Photo luminance, LDT, and dielectric studies. The TG/DTA analysis explained the crystal's good thermal stability. EDAX was used to determine the results of elemental analysis of KUC. Though the crystal has been utilised in several medical applications, the current investigation reveals that the grown crystal possesses anticancer activity and is ideal against breast cancer (MCF-7 cell line).

Statistical analysis of solar thermal collectors in the Solar Keymark Database

Experimental, analytical, or numerical investigations are ordinarily conducted to reveal optimisation potential for solar thermal collectors. At the same time, the ‘Solar Keymark Database’ contains more than 2,000 test reports from certified laboratories featuring properties including thermal efficiency, dimensions, or optical properties. This dataset offers untapped potential for statistical analyses as an alternative optimisation approach. Hence, this paper aims to provide a) the first statistical findings of solar thermal collector properties listed in the Solar Keymark Database and b) insights into statistical relations between these properties. The key correlations observed from the analysis of flat-plate collectors were between efficiency and both gross height (R=0.30) and gross area (R=0.27). We concluded that preferable collector designs may be featured with larger area to height ratios. The analyses of evacuated tube collectors revealed a strong correlation between efficiency and transversal incidence angle modifier (R=-0.65) as a result from different tube spacing. It was noticeable that the quasi-dynamic test method reported significantly higher efficiencies (7.14 percentage points) for evacuated tube collectors, which should be carefully considered for future test procedures. Overall, the statistical analysis was in accordance with conventional bottom-up analyses and revealed insightful dependencies for the present collector data.