Wavenumber Shifts Research Articles

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.

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.

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.

Correction of Ionospheric Phase in SAR Interferometry Considering Wavenumber Shift

Correction of Ionospheric Phase in SAR Interferometry Considering Wavenumber Shift

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.

CARS.jl: Efficient fitting of dual‐pump multi‐species CARS spectra using compressed libraries

AbstractIn this publication, we demonstrate the extension of our loss‐less library approach previously limited to fitting ro‐vibrational N2 CARS spectra for thermometry purposes to accurate and efficient fitting of dual‐pump CARS spectra with multiple species. The fundamental reasoning behind the compression approach is to make use of finite resolution effects arising from the laser linewidths, which are typically larger than the transitional linewidths. For accurate reconstruction at runtime of the fit, in addition to the squared modulus and real component, also the imaginary component as well as intra‐region species cross terms have to be compressed and tabulated for dual‐pump multi‐species spectra. The resulting libraries do not require to tabulate combinations of mole fractions, leading to a near linear growth of the library with respect to the number of species. The accuracy and computational efficiency of the method is benchmarked using a reference implementation provided alongside this publication. Library generation times, mainly depending on the underlying spectral model, are typically in the order of seconds to a few minutes. The simulation of a single dual‐pump spectrum containing three species is sped up by a factor of >5000 without significantly affecting the accuracy of reconstruction. In a simulated experiment with Stokes‐noise imposed data, the time required to it temperature, mole fraction of three resonant species and wavenumber shift on a single spectrum required 90 ms.

Penggunaan ZnO/Zeolit dalam Degradasi Fenol Secara Fotolisis dan Aplikasinya Pada Limbah Karet

Phenol is one of the organic compounds that are toxic and carcinogenic. In this study ZnO/zeolite was used to degrade phenol by photolysis and its application to rubber waste. Phenol analysis was performed using a UV-Vis spectrophotometer and Fourier Transform Infrared (FTIR), while the ZnO/zeolite characterization used FTIR and X-Ray Diffraction (XRD). The results showed that the percentage of phenol degradation without a catalyst was 15.79% with UV irradiation for 75 minutes and increased to 79.63% with the addition of 0.4 g ZnO/zeolite. Phenol degradation in rubber wastewater samples using ZnO/zeolite obtained a degradation percentage of 58.28%. Phenol analysis before and after degradation showed a shift in wave number which indicated the occurrence of degradation. Characterization of ZnO/zeolite before and after degradation using FTIR and XRD showed that there was no change in the structure of ZnO/zeolite

Micro FT-IR spectroscopic measurements of CH4: Experimental calibration with high-pressure and high temperature optical cell (HPOC)

Fourier transform infrared spectroscopy (FTIR) is a prevalent nondestructive in situ analytical technique widely employed for the qualitative characterization of natural fluid inclusions. Presently, the quantitative determination of the temperature, pressure, and composition of natural inclusions stands as a pivotal challenge in the geological application of laser spectroscopy. Through the integration of the capillary high-pressure optical cell (HPOC) technique and Fourier transform infrared spectroscopy, infrared quantitative models for the C–H symmetric stretching band (v3) in the vapor phase of CH4 under varying temperature (40–200 °C) and pressure (20–500 bar) conditions are established for the first time. This accomplishment is achieved through fitting and calculation of infrared spectra. A linear quantitative relationship and the dynamic evolution of infrared spectral parameters (peak area, full width at half maximum, peak height ratio, and peak shifts) concerning temperature, pressure, and density are meticulously investigated. The findings reveal that the peak area and full width at half maximum exhibit an upward trend with increasing pressure and density, and are inversely proportional to temperature. The height ratio (P band/Q band, R band/Q band) experiences an increase as density escalates. Moreover, the CH4v3 band position shows a higher wavenumber shift with increasing temperature, while its position correlates negatively with pressure and density. Thus, this method demonstrates its applicability in deducing the PVT-x properties of CH4-bearing systems, including CH4-rich fluid inclusions, CH4 content within hydrocarbon inclusions, and experimental fluid investigations. In contrast to the Raman quantitative approach, the infrared quantitative formula can be universally adopted in any infrared laboratory owing to the quantitative theory (Beer–Lambert law) governing infrared absorption spectra. By collecting Raman spectra and infrared spectra of pure methane fluid inclusions from the central region of the Alps and subsequently calculating the results using two distinct quantitative methods for fluid inclusions, we have demonstrated the feasibility of applying infrared spectroscopy in natural fluid inclusion studies.

Carrier–phonon interaction and anharmonic phonon decay in ZnS thin film studied by resonance Raman scattering

AbstractResonance Raman scattering was carried out on polycrystalline zinc sulfide (ZnS) thin film. The resonance Raman spectra revealed strong carrier–phonon interaction where longitudinal optical phonon (LO) with overtones up to the fourth order and its combination phonons with transverse acoustic (TA) phonons were observed, namely, nLO + mTA (where n and m are integers). The resonance Raman scattering processes were well explained within the framework of the cascade scattering model. The wavenumber of the LO phonon with increased temperature was dominated by anharmonic phonon decay. Detailed experimental data fittings showed that thermal expansion contribution to the nLO phonon overtones differed from the fundamental LO phonon due to the involvement of the scattering of the LO phonons at the Brillion zone edge. The negative value of the mode‐Grüneisen parameter for the TA phonon slowed down the wavenumber shift of the combination nLO + mTA phonon modes with increasing temperature compared to the nLO phonons. The anharmonic phonon decay of combination nLO + mTA phonons were dominated by anharmonic phonon decay of nLO phonons.

Enhancing interfacial bonding between the copper foil and poly-ether-ether-ketone film via dual modification using UV/ozone and silane coupling

In this study, copper foil and poly-ether-ether-ketone (PEEK) film were directly bonded using nanosecond lasers. To strengthen the interfacial bonding between the copper foil and PEEK, ultraviolet/ozone (UV/ozone) and silane coupling treatment (APTMS) methods were proposed to modify the surface of the copper foil. The UV/ozone treatment led to the oxidation of the surface of the copper foil to Cu2O. The bonding interface and fracture were characterized and analyzed via optical digital microscopy (OM), scanning electron microscopy (SEM), energy dispersive spectrometry (EDS), Fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS). The Cu/PEEK joints demonstrated a 95 % improvement in peel strength following UV/ozone + silane coupling treatments. Additionally, the red shift of the typical functional group wavenumbers demonstrated a strong hydrogen bond interaction between the copper foil treated with UV/ozone + silane coupling and the PEEK film. The mechanism behind the superior peel strength of UV/ozone + ATPMS-Cu/PEEK joints was subsequently validated through the density functional theory (DFT) analysis. Moreover, DFT was utilized to calculate the differential charge transfer and binding energies of Cu/silanol and Cu2O/silanol. As per the results, the bonding of Cu2O to silanol was more stable than that of Cu to silanol.