“…This space group of LTSB crystal was confirmed by SXRD analysis. From the collected data LTSB single crystal having three unequal cell parameters a = 5.15 Å, b = 7.74 Å, c = 13.61 Å, holding angles of 90 0 between them and cell volume 543 Å 3 confirms the LTSB crystal unambiguously the orthorhombic system, which shows a suitable concord with the reported literature ( Allen Moses et al, 2019a , Allen Moses et al, 2019b ).…”
Section: Resultssupporting
confidence: 79%
“…The reflectance (R) and refractive indices (n) were calculated by Eqs. (2) , (3) : ( Allen Moses et al, 2019a , Allen Moses et al, 2019b , Mailoud et al, 2019 ). Fig.…”
Highly translucent nonlinear single crystals of L-Threoninum Sodium Bromide (LTSB) has been grown because of their rising need for everyday life and the XRD studies (PXRD and SXRD) solemnly affirmed the crystallinity and non-centrosymmetric space group of LTSB materials. The bonding nature and diverse functional groups in LTSB were demonstrated by FTIR analysis when they absorb infrared radiation. The optical behavior of LTSB crystals was explored through UV–Vis spectroscopy, which shows optical parameters depend on photon energy with band gap E
g
= 5.7 eV which was suitable for optoelectronic devices. The electrical properties of LTSB crystals were measured by using dielectric measurement. The solid state parameters of LTSB crystal were calculated. An antibacterial activity developed by LTSB crystals against different pathogenic bacteria were examined using the Agar disk diffusion process. The antibacterial inhibitory activity of LTSB crystal revealed that it can be used to treat a variety of bacterial infections.
“…This space group of LTSB crystal was confirmed by SXRD analysis. From the collected data LTSB single crystal having three unequal cell parameters a = 5.15 Å, b = 7.74 Å, c = 13.61 Å, holding angles of 90 0 between them and cell volume 543 Å 3 confirms the LTSB crystal unambiguously the orthorhombic system, which shows a suitable concord with the reported literature ( Allen Moses et al, 2019a , Allen Moses et al, 2019b ).…”
Section: Resultssupporting
confidence: 79%
“…The reflectance (R) and refractive indices (n) were calculated by Eqs. (2) , (3) : ( Allen Moses et al, 2019a , Allen Moses et al, 2019b , Mailoud et al, 2019 ). Fig.…”
Highly translucent nonlinear single crystals of L-Threoninum Sodium Bromide (LTSB) has been grown because of their rising need for everyday life and the XRD studies (PXRD and SXRD) solemnly affirmed the crystallinity and non-centrosymmetric space group of LTSB materials. The bonding nature and diverse functional groups in LTSB were demonstrated by FTIR analysis when they absorb infrared radiation. The optical behavior of LTSB crystals was explored through UV–Vis spectroscopy, which shows optical parameters depend on photon energy with band gap E
g
= 5.7 eV which was suitable for optoelectronic devices. The electrical properties of LTSB crystals were measured by using dielectric measurement. The solid state parameters of LTSB crystal were calculated. An antibacterial activity developed by LTSB crystals against different pathogenic bacteria were examined using the Agar disk diffusion process. The antibacterial inhibitory activity of LTSB crystal revealed that it can be used to treat a variety of bacterial infections.
“…10, tiny blobs surrounding the core of the damage, owing to thermal effects resulting in melting, flawing, decomposition, and solidification of the material. The laser damaged threshold value for the title crystal is (19.78 GW/cm 2 ) which is very higher as compared to other well-known various nonlinear optical materials presented in Table 4 [49][50][51][52][53][54].…”
An efficient semi-organic nonlinear optical bis (4-acetylanilinium) tetrachloridozincate [(C8H10NO)2 ZnCl4] (B4ATCZ) single crystal was synthesized and successfully grown by the slow evaporation method. The single-crystal X-ray diffraction data confirm that B4ATCZ crystallized into an orthorhombic crystal system (Cmca). The UV–Vis–NIR transmittance spectrum was taken to assess the optical transmission, cut-off wavelength, and bandgap energy. The TG–DSC investigation ensures that the B4ATCZ is stable up to 235 °C. The mechanical behavior of the B4ATCZ compound was determined by Vickers Microhardness analysis. The surface laser-induced damage threshold value of the grown B4ATCZ crystal was endowed to be 19.78 GW/cm2 on testing with 1064 nm Nd: YAG laser radiation. The positive photoconductive properties and charge transport mechanism of B4ATCZ crystal were analyzed through photoconductivity and dielectric studies. The electron excitation and lifetime measurements of the molecules in the B4ATCZ crystal were studied by fluorescence spectral analysis. The HOMO–LUMO analysis evidently interprets the occurrence of N–H⋯O and N–H⋯Cl intermolecular hydrogen bonds influencing the charge transfer in the system. The electrostatic potential surface reveals the possible sites for hydrogen bonding electrophilic and nucleophilic interactions. Third-order nonlinear optical activity evaluated by the Z-scan measurements indicates the self-focusing and reverse saturable absorption in the crystal. The aforesaid results affirm that the metal-organic B4ATCZ is a potential material for optoelectronic and nonlinear optical device applications.
“…[2] Some common examples of optical switches that use crystalline materials include electro-optical modulators [3] optical filters, [4] and DOI: 10.1002/crat.202300191 frequency converters. [5] These crystalline materials have a crucial role in modern-day high-tech applications because they enable the development of advanced optical devices. [6] These devices are critical to the functioning of various modern-day technologies, including telecommunications, [7] medical imaging, [8] and sensing.…”
The photovoltaic and optical properties of 6,6′‐dibromoindigotin (DBI) crystal under changing solvent polarity are investigated through DFT analysis. It includes geometry optimization, global reactivity, UV–vis analysis, open circuit voltage (Voc), FMOs, and NBO analysis. The highest HOMO‐LUMO gap (Egap) value is found for the gaseous phase (1.82 eV), while the lowest Egap is found for dichloro methane (1.64 eV), and intermediate values with the other solvents. The molecule has a high IP of 2.48 eV, low EA of 0.74 eV, moderate polarity, and hardness (η). The maximum absorption wavelengths (λmax) of the compound in different solvents are dichloromethane and DMSO (373 nm), chloroform (372 nm), methanol and water (371 nm), toluene (367 nm), and gaseous (356 nm). Their Voc range is 0.2–0.28 eV. Among all, chloroform demonstrates the highest performance with a fill factor (FF) of 0.8630, normalized open circuit (Nor. Voc) of 31.69 eV, and Jsc of 26.47 mA cm−2. Toluene also shows promising results with an FF of 0.8060, Nor. Voc of 19.71 eV, and Jsc of 21.19 mA cm−2. Water, although not as effective as other solvents, still exhibits respectable values with an FF of 0.8315, Nor. Voc of 23.96 eV, and Jsc of 24.63 mA cm−2.
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