Wavenumber Shifts Research Articles

Application of Κ-Carrageenan for One-Pot Synthesis of Hybrids of Natural Curcumin with Iron and Copper: Stability Analysis and Application in Papilloscopy

In this study, hybrid materials were synthesized incorporating curcumin, Cu2+ or Fe3+, and Kappa-carrageenan as a reducing agent to improve stability, considering that curcumin has low thermal and solution stability, which limits its applications. Colorimetric analysis showed color changes in the hybrids, ultraviolet–visible spectroscopy revealed band shifts in the hybrids, and infrared analysis indicated shifts in wavenumbers, suggesting changes in the vibrational state of curcumin after bonding with metal ions. These techniques confirmed the formation of hybrid materials. Thermogravimetric and chromatographic analyses demonstrated greater thermal and solution stability for the hybrids compared to curcumin. Additionally, the hybrid composites effectively developed natural and sebaceous latent fingerprints with good clarity and contrast on glass surfaces. Both composites performed similarly to commercial Gold® powder. When applied to surfaces representative of forensic scenarios, the composites were versatile, revealing sufficient fingerprint details for human identification on both porous and non-porous surfaces. Scanning electron microscopy images showed greater clarity in sebaceous and natural fingerprints developed with the Fe composite compared to the Cu composite.

Formulasi dan Karakterisasi Nanopartikel Ekstrak Biji Carica (Carica pubescens) dengan Variasi Konsentrasi Kitosan menggunakan Metode Gelasi Ionik

Carica seeds (Carica pubescens) contain alkaloid, saponin, and flavonoid compounds, which have pharmacological activities such as antibacterial, anti-inflammatory, immunomodulatory, and antihyperlipidemic properties, but their bioavailability is low. Nanotechnology has significantly advanced in drug delivery systems because it can enhance absorption in the gastrointestinal tract, allowing entry into the bloodstream. This study aims to create and evaluate the characteristics of carica seed extract nanoparticles with varying concentrations of chitosan. The carica seed extract was obtained using the maceration method with 70% ethanol as the solvent. The Carica seed extract was then formulated into nanoparticles using the ionic gelation method with varying concentrations of chitosan: NaTPP, specifically formulas FA (0.3:1), FB (0.2:1), and FC (0.1:1). The resulting nanoparticle colloids were characterized for particle size, polydispersity index (PDI), percent transmittance (%T), and specific functional groups. The results showed that the particle sizes for formulas FA, FB, and FC were 243.7 nm, 47.96 nm, and 116.6 nm, respectively. The PDI values for formulas FA, FB, and FC were 0.378, 0.357, and 0.52, respectively. The percent transmittance for all three formulas ranged from 99.5% to 99.6%. The characterization of functional groups indicated interactions between the carica seed extract, chitosan, and NaTPP, with the presence of OH, N-H, aliphatic CH, P=O, and PO3 groups. These interactions were observed based on the shift in wavenumbers in the FTIR results for each sample. All carica seed nanoparticle formulas showed particle sizes within the nanometer range (<1000 nm), polydispersity indices less than 1, percent transmittance close to 100%, and specific functional groups indicating interactions between the extract and the coating polymer. Formula FB was the optimal formula, with the smallest nanoparticle size (<100 nm), a PDI value of <0.5, and a percent transmittance of >99%.

Synthesis and characterization of corn cob activated carbon for Pb(II) adsorption with real-time monitoring using Internet of Things

Abstract Here, we investigate the adsorption of Pb(II) using AC derived from corn Rachis (RAC) with various carbonization temperatures: 500°C, 700°C, and 900°C using KOH solution as the activator. Fourier Transform Infrared Spectroscopy (FTIR) analysis revealed the presence of hydroxyl and carbonyl functional groups and optical-dielectric function change under the carbonization process. X-ray Diffraction (XRD) patterns confirmed the presence of (002) and (100) lattice planes, indicating a graphitic phase with amorphous area (X_a) domination. Scanning Electron Microscopy (SEM) images showed a honeycomb-like morphology, while Energy Dispersive X-ray (EDX) analysis indicated a carbon content of over 90%. Brunauer-Emmett-Teller (BET) analysis shows the high specific surface area of each sample (>1000 m2/g). The highest Pb(II) adsorption efficiency was achieved at 99.77%, with maximum performance at pH = 7.31, and temperature ~26.7℃, supported by the narrowing phonon vibration (Δ(LO-TO), lower electron loss function (ELF) shifts in wavenumber, higher X_a, and confirmed through adsorption kinetic and isotherm study. Here, we demonstrate a fresh methodology based on real-time monitoring using the Internet of Things of RAC as a promising adsorbent for Pb(II) removal with an adsorption capacity of 2.598 mg/g. In addition, the ability of adsorption results without stirring aids to determine their ability when applied to the environment has been studied.

Improving the mechanical properties of chitosan through blending with poly(trimethylene carbonate) copolymer

In this study, a novel flexible material was fabricated by blending chitosan (CS) with a poly(trimethylene carbonate) (PTMC) copolymer. N-methyl-D-glucamine, which acts as a polyol, was grafted onto the PTMC copolymer to produce poly(TMC-co-TMC-glucamine) (PTTG), to enhance the hydrogen bonding interactions. The CS/PTTG blend films were then fabricated using solvent casting. The chemical interactions and thermal properties of the new materials were evaluated using FT-IR and TGA, which revealed a shift in wavenumber and a decrease in T10. Incorporation of PTTG into CS significantly improved tensile strength, reaching up to 16.0 ± 2.6 MPa in the CS75PTTG25 formulation. The flexibility also increased to 55.9 ± 6.6 MPa in the simple blend of CS, PTMC copolymer, and N-methyl-D-glucamine. Additionally, the underlying mechanism is presented and thoroughly explained in this work. Consequently, CS/PTTG blend films, derived from biodegradable polymers with excellent mechanical properties, demonstrate potential for various applications.

Monitoring stress concentration in polymers with circular notch exploiting graphene-based sensors

Failure of polymers frequently initiates at discontinuities in the material, such as holes and notches, as they constitute points of increased stress concentration. Herein, we propose the use of monolayer graphene produced via Chemical Vapour Deposition to monitor the stress distribution close to a defect in poly(methyl methacrylate). Combining in-situ Raman spectroscopic mapping with tensile tests, the stress/strain distribution around the defect can be probed via monitoring the wavenumber shift of the spectroscopic features of graphene. The measured stress concentration factor of 2.41 is remarkably close to the value derived from Finite Element Analysis, and agrees with other studies in the literature, thus demonstrating that the proposed technique is reliable, and that graphene can accurately sense stress concentration close to a defect, with a sub-micron spatial resolution and a strain resolution of ≈60 με.

Tailoring the Structural and Optical Properties of Oxychloride Magnesium Tellurite Glass with the Addition of Samarium Ions

In this study, samarium-doped oxychloride magnesium tellurite glass with composition (79−x)TeO2−xMgO−20Li2O−1Sm2O3 (Series 1) and (79−x)TeO2xMgCl2−20Li2O−1Sm2O3 (Series 2) with 0 ≤ x ≤ 15 mol% was prepared by the melt-quenching technique. The structural and optical properties of synthesized samples were investigated, and the XRD results dictated an amorphous nature for both samples. The glass density of both Series 1 and 2 decreased with increasing MgO and MgCl2 content. However, the molar volume behaves in a completely opposite manner to an increase in MgO or MgCl2 content. FTIR spectra revealed from the vibrational wavenumber shift of TeO4 and TeO3 structural units showed a significant rise in HOH vibration mode, which implies its usefulness in boosting water and light absorption. Four absorbance bands were observed via UV-Vis NIR, while the indirect optical band gap around (3.42–3.36) eV and (3.42−3.30) eV for Series 1 and Series 2 were observed from UV-Vis spectroscopy. The emission spectra from the photoluminescence study revealed four distinct bands centered at 562.54, 599.14, 645.63 and 708.40 nm which are attributed to the transition from 4G5/2 – 6HJ/2 (J = 5,7,9,11) of states of Sm3+. The optimum glass with a composition of TeO-MgO 15% demonstrates a high potential for optical device development.

Impact of pH Preparation on the Physical Nature and Metal Phase of Zeolite-Supported Metal Catalyst

The synthesis of CoMo/USY catalysts has been widely carried out. However, the bond strength between metal and USY is still a problem. Therefore, this research has synthesised the catalyst with the chelating agent ethylenediaminetetraacetate (EDTA). Apart from that, the effect of pH on the characteristics of the catalyst is also reviewed. This research aims to analyse the effect of preparation pH on catalyst characteristics. In the preparation process, the pH of the solution is set at values of 2, 7, and 8. Catalyst activation includes a calcination process and reduction. The catalyst characterisation uses XRD, GSA, and FTIR instruments to determine phase composition, specific surface area, and functional groups. The result showed that pH preparation significantly influenced the metal loading on the catalyst and reached a maximum at pH 8. The surface area is not directly related to the pH of the preparation but has the opposite property depending on the amount of metal added. Meanwhile, it was found that the CoO and MoO3 phases were achieved on the catalyst by all pH preparations. On the other hand, the CoMo alloys are present on the catalyst at pH 7 and 8, while the Co and Mo elements are visible at pH 2. The difference in pH during the synthesis process impacts the shift in the absorption wave number of the OH vibration.

SERS activity of silver nanoparticles and silver-modified 2D graphitic carbon nitride towards ciprofloxacin drug

Herein, silver nanoparticles (AgNPs) and silver-loaded graphitic carbon nitride (Ag@g-C3N4) nanocomposites have been synthesized and used as an effective surface-enhanced Raman scattering (SERS) substrates for the detection of low concentrations (10-14 M) of ciprofloxacin (CIP), a commonly bioactive medication used to treat bacterial illnesses. A combined approach of vibrational spectroscopy and density functional theory (DFT) has been developed to understand the possible modes of analyte (CIP) and SERS substrate (AgNPs and Ag@g-C3N4) interactions. Furthermore, it has been noticed that the behavior of drug molecules in terms of SERS response and energetics of interaction changed significantly when interacted with the noble metal AgNPs decorated onto the g-C3N4 framework in comparison to only AgNPs as substrate. The most prominent interaction scenario between AgNPs and CIP is likely to be through the –NH moiety of drug molecule with an interaction energy of −306 kcal/mol. Whereas, the CIP molecules adsorbed onto Ag@g-C3N4 nanocomposite were more flexible with interaction energy of −107 kcal/mol, suggesting a greater association of analyte with the skeletal modes of substrate leading to Raman enhancements in the low wavenumber region i.e. below 600 cm−1. Hence, the Ag@g-C3N4 nanocomposite-based SERS substrates investigated served two distinct spectral ranges, making them complementary of each other in terms of SERS detection of CIP. The characteristics of the computed frontier molecular orbitals indicated a pronounced amount of charge transfer between the drug and the substrate, highlighting the significance of the chemical mechanism of the overall process. These results represent a successful approach to have an extended spectral range that covers lower wavenumber shifts by applying simple and meaningful modifications to the normally utilized noble metal-based nanoparticles, which can lead to more effective and reliable detection of bioactive drugs.

Understanding spin-dependent vibrational frequencies in Fe(II) metal organic coordination complexes

We investigated the compositional and temperature (T) dependences of vibrational frequencies in Hofmann-type Fe(L)2[M(CN)4] spin-crossover (SCO) coordination polymers in which {M = Ni, Pd or Pt with L = pyridine (py)}, or {L = 3-Cl-py or 3-methylpy with M = Ni}, using Raman spectroscopy. The SCO-driven peak shifts (in wavenumber) ranged up to ∼170 cm−1, manifesting significant spin-dependent structural evolutions. Furthermore, there appear clear HS signatures even at T ≪ TSCO for L = 3-Cl-py or 3-methylpy implying the steric effects of the organic ligands on the HS trapping. Meanwhile, for L = py, such HS trapping at the low temperature was not significant although some spectra taken under high laser fluence exhibit light-induced excited spin state trapping (LIESST) effect. The mechanism of the LIESST is discussed in detail in terms of the M d – C 2sp hybridization effects.

Correction of Ionospheric Phase in SAR Interferometry Considering Wavenumber Shift

The ionospheric effects in repeat-pass SAR interferometry (InSAR) have become a rising concern with the increasing interest in low-frequency SAR. The ionosphere will introduce serious phase errors in the interferogram, which should be properly corrected. In this paper, the influence of the wavenumber shift on the Range Split-Spectrum (RSS) method is analyzed quantitatively. It is shown that the split-spectrum processing deteriorates the coherence of the sub-band interferogram and then greatly reduces the estimation accuracy. The RSS method combined with common band filtering (CBF) can improve the coherence of sub-band interferograms and estimation accuracy, but the estimation is biased due to the RSS model mismatch. To address the problem, a modified truncated singular value decomposition (MTSVD) based multi-sub-band RSS method is proposed in this paper. The proposed method divides the range common spectrum into multiple sub-bands to jointly estimate the ionospheric phase. The performance of the proposed method is analyzed and validated based on simulation experiments. The results show that the proposed method has stronger robustness and higher accuracy.

Wavenumber Calibration Protocol for Raman Spectrometers Using Physical Modelling and a Fast Search Algorithm.

A wavenumber calibration protocol is proposed that replaces polynomial fitting to relate the detector axis and the wavenumber shift. The physical model of the Raman spectrometer is used to derive a mathematical expression relating the detector plane to the wavenumber shift, in terms of the system parameters including the spectrograph focal length, the grating angle, and the laser wavelength; the model is general to both reflection and transmission gratings. A fast search algorithm detects the set of parameters that best explains the position of spectral lines recorded on the detector for a known reference standard. Using three different reference standards, four different systems, and hundreds of spectra recorded with a rotating grating, we demonstrate the superior accuracy of the technique, especially in bands outside of the outermost reference peaks when compared with polynomial fitting. We also provide a thorough review of wavenumber calibration for Raman spectroscopy and we introduce several new evaluation metrics to this field borrowed from chemometrics, including leave-one-out and leave-half-out cross-validation.

Resonance Raman studies on phonon softening, phonon lifetime, Fano resonance, and multipeak analysis of MoS2 nanoflakes

AbstractIn this study, the resonance Raman spectra of hydrothermally produced 2H‐MoS2 nanoflakes excited by a 633‐nm laser were examined. Spectral observations include both fundamental MoS2 modes and additional Raman lines, which arise from alterations in the energy states of the semiconductor owing to the incidence of laser radiation. Phonon softening and alterations in the phonon lifetime were computed for different laser powers. The Fano resonance, which causes asymmetry in the Raman spectral lines, was analyzed at different laser powers. The Fano line‐shape function is used to fit the asymmetry in the in‐plane vibrational mode whereas multi‐peak fitting using the Fano‐Lorentzian function is used to fit the out‐of‐the‐plane fundamental mode, which is coupled with “b” mode. A direct study of the electron–phonon interaction was carried out with the “b” mode. The shift in laser wavenumber was then investigated using the 2LA(M) modes observed in the resonance Raman spectra. These findings provide new optoelectronic device designers with an understanding of the intricate electron–phonon interactions in transition metal dichalcogenides.

Wide-Angle Repeat Pass Bistatic SAR Interferometry: A Geometrical Introduction

Positioning a Synthetic Aperture Radar (SAR) receiver at a significant distance from an illuminator in a Low Earth Orbit (LEO) enables wide-angle repeat-pass bistatic interferometry. It’s crucial to define the positioning limits of the receiver with respect to the illuminator to ensure reasonable coherences, altitudes of ambiguity, and a suitable common wavenumber support. I extended the standard monostatic formula, which yields the change in the interferometric travel path due to the vertical baseline. In the wide-angle bistatic case, the range-azimuth coordinate system is no longer orthogonal and we must consider the full 2D vector nature of the LOS orthogonal components. The two vertical baselines and the horizontal baseline of the receiver are needed to parameterize the system. Their impact on the interferometric coherence is quantified and bistatic limits are seen to be more flexible than those in the monostatic case due to the combination of independent baselines. I estimated the coherence, and then extended the analysis to the wavenumber domain, to quantify the common spectral support due to the wavenumber shifts due to the three baselines. The analysis carried out geometrically allows for combining together the effects of the transmitter’s and receiver’s vertical baselines and thus representing the residual spectral fraction with two instead of three parameters. Finally, I examined the achievable spatial resolution of the position of the interferer obtainable from the delay of the arrival of the interference between the illuminator (supposed to be silent) and the receiver.

Application of Acid Activated Ouw’s Natural Clay (ONC) on Adsorption of Methylene Blue Dye

The application of natural clay as an adsorbent has been widely used. This is supported by the porous surface texture of the clay. However, some treatments are needed to remove impurities in natural clay before using it as an adsorbent. The common effort is to activate it with acid. This research studied the effect of hydrochloric acid concentration on the adsorption capacity of methylene blue dye. The concentrations of hydrochloric acid used were 2, 3, and 4 M. Characterization was carried out with IR, XRD, and SEM-EDX spectroscopy to see the differences in ONC characters before and after adding hydrochloric acid. The characterization results showed that ONC contained montmorillonite and quartz, and an increase in base distance was directly proportional to the increase in the concentration of hydrochloric acid used. High concentrations of hydrochloric acid caused excessive dealumination and deionization. The dealumination process was supported by IR data where there was a shift in wavenumber in the Al-O stretching vibration region from 796 cm–1 to 794 cm–1; the sharper the vibration in the Si-O region (488-468 cm–1); there was also an increase in the Si/Al ratio of pure ONC from 1.7497 to 2.2970 for 3 M ONC-HCl. The concentration of hydrochloric acid did not significantly affect the capacity of ONC as an adsorbent for methylene blue. The adsorption capacity of pure ONC obtained was 4.97215 mg/g, while for ONC-HCl 3 M was 4.97746 mg/g.

Calcination temperature dependence of tri-magnetic nanoferrite Ni0.33Cu0.33Zn0.33Fe2O4: Structural, morphological, and magnetic properties

The calcination temperature plays a pivotal role in determining the physical and magnetic properties of ferrite nanoparticles, influencing their performance and applicability in various applications. In this study, Ni0.33Cu0.33Zn0.33Fe2O4 nano ferrites were produced using the coprecipitation method and subsequently calcined at different temperatures, specifically 500 °C, 550 °C, 600 °C, 650 °C, and 700 °C. The X-ray diffraction analysis confirmed the presence of cubic spinel ferrite phase (Fd-3m) and revealed an increase in crystallite size from 12.84 to 20.19 nm as the calcination temperature increased from 500 °C to 700 °C. X-ray photoelectron spectroscopy analysis provided insights into chemical oxidation states. Scanning electron microscopy and transmission electron microscopy images revealed that at higher calcination temperatures, nanoparticles tend to aggregate. This aggregation is associated with an observable rise in particle size, increasing from 18.16 to 29.11 nm for nanoparticles calcined at 500 °C and 700 °C, respectively. Energy-dispersive X-ray confirmed pure elemental compositions. Fourier transform infrared spectroscopy identified red and blue shifts in wavenumbers corresponding to tetrahedral and octahedral group complexes, respectively. Nanoparticles calcined at 700 °C exhibited the highest saturation magnetization (62.642 emu/g) and coercivity (75.27 G), as revealed from the vibrating sample magnetometry analysis. Upon increasing the calcination temperature from 500 °C to 700 °C, the ferromagnetic contribution was improved from 24.26% to 98.64% along with a reduction in superparamagnetic contribution from 75.74% to 1.34%, respectively. The electron paramagnetic resonance (EPR) study showed an increase in the values of g and ΔHpp with the rise in calcination temperature. This observation suggests an enhancement in dipole–dipole interactions. Furthermore, a linear relationship was discovered between the g factor and crystallite size, inducting the formation of single domain. Finally, altering the calcination temperature adjusted the physical and magnetic properties of Ni0.33Cu0.33Zn0.33Fe2O4 nanoparticles. This adjustment indicates their potential for versatile applications, particularly in hyperthermia treatment and as T2 contrast agents in magnetic resonance imaging.

Influence of Nd doping on the structural and electrochemical properties of uranium dioxide

The influence of the Nd-doping ratio and oxygen vacancies on the structural properties and electrochemical reactivity of U1-yNdyO2-x (x ≈ y/2, y = 0.02, 0.06, and 0.1) solid solutions was investigated using X-ray diffraction, Raman spectroscopy, and cyclic voltammetry. Defect structures induced by oxygen vacancies were observed with Raman spectroscopy, which showed that Raman modes shifted to higher wavenumbers with increasing doping ratio. This result is indicative of a crystal lattice disorder caused by oxygen vacancies. The wavenumber shifts and relative ratios of the Raman modes were indicators of the composition and oxygen vacancies, respectively, of the U1-yNdyO2-x solid solutions. The oxygen deficiencies of the solid solutions were estimated from the relation between the doping ratio and lattice parameter calculated from X-ray diffraction patterns. Cyclic voltammetry revealed that changes in the Nd content influenced the electrochemical reactivity of hypo-stoichiometric U1-yNdyO2-x, which increased with increasing Nd content. The results of this study provide fundamental data to improve the understanding of spent nuclear fuel.

INCREASED DISSOLUTION RATE OF ACECLOFENAC BY FORMATION OF MULTICOMPONENT CRYSTALS WITH L-GLUTAMINE

Objective: The objectives of this research were to improve the solubility as well as the rate of dissolution of aceclofenac (ACF) through the formation of multicomponent crystals (MCC) with L-glutamine (LGLN) as a coformer and following the liquid-assisted grinding (LAG) technique.
 Methods: MCC of ACF and LGLN was formed by Liquid Assisted Grinding (LAG) technique. Powder X-ray Diffractometer (PXRD), Differential Scanning Calorimeter (DSC), Fourier Transform Infrared (FT-IR) spectrometer, Particle Size Analyzer (PSA), and Scanning Electron Microscope (SEM) were used for MCC characterization. Solubility and dissolution test were determined using ultraviolet-visible (Uv-Vis( spectrophotometer.
 Results: The results showed a decrease in the diffraction peak intensity, melting point, and enthalpy of fusion. FT-IR analysis showed a non-significant wavenumber shift compared to intact components. These characterizations showed that MCC formed a eutectic mixture. SEM and particle size analysis showed a homogeneous particle rod shape and decreased particle size. ACF's solubility in MCC increased 2.21 times more than intact form. MCC's dissolution rate increased by 5.34 times and 5.56 times, respectively, after 60 min in phosphate buffer pH 6.8 and CO2-free distilled water.
 Conclusion: The formation of MCC of ACF and LGLN considerably enhances ACF's solubility and dissolution rate.

High pressure Raman study of isobutyramide

Isobutyramide (IBA) has attracted considerable attention due to its expansive prospects for practical applications in the synthesis of drugs, dyes and other organic compounds. Herein we perform the high-pressure studies of IBA crystal by Raman spectral measurements at room temperature from ambient pressure to 30 GPa by using diamond anvil cells (DACs) to gain comprehensive insights into its structure and stability. Raman vibrational modes of IBA crystal at ambient pressure are resolved based on the experimental results and the first-principles theoretical calculations. High-pressure Raman scattering results show the Raman bands splitting, emergence/disappearance of the Raman bands and discontinuous wavenumber shifts at 1, 2 and 10 GPa, which indicate that IBA crystal undergoes three structural phase transitions at corresponding pressure. In addition, softening of the C = O and N–H stretching vibrational modes of IBA with increasing pressure can be interpreted by the reorganization of the hydrogen bond network of IBA molecules due to phase transition.

Determining the Structural Properties and Vibrational Modes of Annealed Lead Composite Material Deposit

Techniques for effectively harnessing lead (Pb) deposits for optimum utilization have attracted a lot of research interest. Results obtained from investigating the elemental composition, vibrational modes, and structural properties of a fired Pb composite deposit, which is purified using an electric kiln furnace and further annealed in palladium‐diffused hydrogen ambient, are reported in the present study. Both atomic force microscopy and scanning electron microscopy analysis on the deposit indicate that the Pb composite is composed of crystal‐like morphology. The vibrational modes obtained from the material are identical to the Raman spectrum reported for PbSO4. Also, data acquired from the energy‐dispersive X‐ray analysis of the annealed Pb composite material confirm the presence of zinc, carbon, silicon, sulfur, and oxygen in the material. At the same time, Pb appears to be the primary constituent with reference to its weight percentage composition compared to other elements. The findings from the present study may be vital for providing an improved understanding of the electronic and structural properties of the annealed Pb composite deposit while promoting the development of a feasible approach for the recovery and recycling of Pb for future related applications.

GeSn-on-GaAs with photoconductive carrier lifetime >400 ns: role of substrate orientation and atomistic simulation.

Group IV GeSn quantum material finds application in electronics and silicon-compatible photonics. Synthesizing these materials with low defect density and high carrier lifetime is a potential challenge due to lattice mismatch induced defects and tin segregation at higher growth temperature. Recent advancements in the growth of these GeSn materials on Si, Ge, GaAs, and with substrate orientations, demonstrated different properties using epitaxial and chemical deposition methods. This article addresses the effect of GaAs substrate orientation and misorientation on the materials' properties and carrier lifetimes in epitaxial Ge0.94Sn0.06 layers. With starting GaAs substrates of (100)/2°, (100)/6°, (110) and (111)A orientations, Ge0.94Sn0.06 epitaxial layers were grown with an intermediate Ge buffer layer by molecular beam epitaxy and analyzed by several analytical tools. X-ray analysis displayed good crystalline quality, and Raman spectroscopy measurements showed blue shifts in phonon wavenumber due to biaxial compressive strain in Ge0.94Sn0.06 epilayers. Cross-sectional transmission electron microscopy analysis confirmed the defect-free heterointerface of Ge0.94Sn0.06/Ge/GaAs heterostructure. Minority carrier lifetimes of the unintentionally doped n-type Ge0.94Sn0.06 epilayers displayed photoconductive carrier lifetimes of >400 ns on (100)/6°, 319 ns on (100)/2°, and 434 ns on (110) GaAs substrate at 1500 nm excitation wavelength. On the other hand, Ge0.94Sn0.06 layer showed poor carrier lifetime on (111)A GaAs substrate. The observed differences in carrier lifetimes were correlated with the formation energy of the Ge on (100)/6° and (100)/2° GaAs heterointerface using Stillinger-Weber interatomic potential model-based atomistic simulation with different heterointerfacial bonding by Synopsys QuantumATK tool. Total energy computation of 6280-atom Ge/GaAs supercell on (100)/6° leads to lower formation energy than (100)/2°, making it more thermodynamically stable. Hence, the growth of the GeSn/III-V material system using misoriented (100) substrates that are more thermodynamically stable will enhance the performances of optoelectronic devices.