Properties Of Crystals Research Articles

The effects of pre-existing dislocations on the mechanical properties of iron

In atomistic simulations, pre-existing dislocations have been reported to reduce the yield stress compared to the ideal crystals. However, the underlying physics behind yield stress reduction is still unrevealed, which hammers the design of advanced materials. Here, large-scale molecular dynamics simulations are carried out to investigate the influence of pre-existing dislocations on the mechanical properties of body-centered cubic Fe crystals with dislocation, twinning, and phase transformation-dominated deformation mechanisms. The results suggest that the overestimated yield stress of all the crystals is significantly reduced by increasing dislocation numbers and obtaining closer flow stress on the uniform plastic deformation stage. This reduction in yield stress can be attributed to the lower thermo-dynamical driving force required to activate existing dislocations in pre-existing dislocation crystals than that to nucleating new dislocations in ideal crystals. Furthermore, pre-existing dislocations inhibited the phase transformation-dominated deformation process, but the twinning/dislocation-dominated deformation process still exhibited its original deformation mechanism.

Significantly Enhanced Electromagnetic Wave Absorption Performances and Corresponding Mechanism of LaMn1-xFexO3 Perovskites

Improving the performance of LaMnO3 perovskite is essential to make it an efficient and ultra-light electromagnetic wave (EMW) absorbing material. In this work, LaMn1-xFexO3 powders (x = 0, 0.1, 0.2, 0.3, 0.4, 0.5) were synthesized by controlling the doping of Fe3+ ions at the B-site using the citric acid-assisted sol-gel method. The effects of Fe3+ ions doping content on crystal structures, magnetic properties and EMW absorption performances were investigated. The obtained LMFO-4 sample exhibited a minimal reflection loss of -54.99 dB at 13.68 GHz, with an adequate absorption bandwidth (RL < -10 dB) spanning 4.56 GHz (11.6∼16.16 GHz) at a matching layer thickness of 2.0 mm. The exceptional EMW absorption performances could be attributed to the Jahn-Teller effect, the double-exchange interactions and the magnetic interactions of Mn and Fe ions. Furthermore, the Computer Simulation Technology (CST) simulations demonstrated that the Radar Cross Section (RCS) value of LMFO-4 was lower than -25.10 dBm2 across angles ranging from -90° to 90° with a thickness of 2.0 mm, indicating the remarkable radar wave attenuation ability. These insights provided valuable guidance for advancing perovskite-based materials tailored for efficient and ultra-light electromagnetic wave absorption applications.

Crystal structure and optical properties of a new 0D Sb-based hybrid metal halide: (3,5-DMP)3Sb2Br9

Zero-dimensional (0D) lead-free hybrid organic-inorganic metal halides (OIMHs) have recently garnered tremendous attention due to their diversified structures and unique structure-dependent photoluminescent (PL) properties. Herein, we report a novel Sb-based 0D hybrid organic-inorganic metal halide (OIMH), with the chemical formula (3,5-DMP)3Sb2Br9 [3,5-DMP+ = 3,5-dimethyl piperidinium cation, C7H16N+]. The (3,5-DMP)3Sb2Br9 compound crystallizes in the triclinic crystal system (P1‾ space group), possessing a typical zero-dimensional (0D) structure with isolated face-sharing (Sb2Br9)3− bi-octahedral units encased by (3,5-DMP)+ organic cations. The isolated bi-octahedral units are distorted due to the strong stereochemical expression of the 5s2 lone pair on Sb3+ and intermolecular H-bonding between the organic moieties and inorganic clusters. The compound exhibited good thermal and environmental stability and possessed an indirect band gap of 2.92 eV. Upon 390 nm UV light excitation, the compound displayed a broad emission band centred at 555 nm, which was attributed to the self-trapped excitons (STEs) formed due to strong electron-phonon coupling in this compound. This study suggests the possibility of new types of 0D OIMHs by introducing different metal centers and bulky organic cations and provides a reference for the structure-property relationship in these compounds, thus, offering guidance for examining the structural evolution and improving their luminescent properties.

Rietveld refined crystal structure, magnetic, dielectric, and electric properties of Zn substituted Ni-Mg ferrites

Sol − gel technique was used to synthesize Ni0.7-xZnxMg0.3Fe2O4 (Ni – Zn – Mg) ferrites with x = 0.1, 0.2, 0.3, 0.4, 0.5. Formation of single phase cubic spinel structure of the synthesized samples was confirmed by employing Rietveld refinement technique. Spherical and inhomogeneous distribution of grains was observed from Transmission Electron Microscopy (TEM) image. The frequency dependent initial permeability (μi), real part of initial permeability (μ′), imaginary part of initial permeability (μ″) was studied for synthesized samples. For zinc content x = 0.2 in Ni – Zn – Mg ferrites μi is observed to be high as compare to other compositions and that attributed to grain size. DC electrical resistivity (ρdc) analysis shows both conducting and semiconducting behavior for all the samples. Room temperature electrical resistivity values were observed to be lower for lower content of zinc and higher for higher content of zinc and that attributed to the hopping mechanisms at octahedral site. The decreasing trend of Curie temperature was observed with increase in zinc content in Ni – Zn – Mg ferrites. Frequency dispersive dielectric properties study of Ni – Zn – Mg ferrites revealed normal dielectric behavior.

Dataset for carbon dioxide adsorption on lizardite

This paper presents data on the adsorption of CO2 on the (001) and (00 ) surface lizardite. The data were obtained from calculations using the density functional theory (DFT) method implemented in the CASTEP software package. The calculations were performed using the plane wave basis set and the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional. A semi-empirical Grimme D2 correction was used to correctly account for dispersion interactions, which play an important role in physical adsorption processes. The data include optimized geometry and electronic properties of equilibrium states of adsorbed CO2 on (001) and (00 ) lizardite surfaces. They contain the most energetically favorable adsorption sites and estimates of the interaction strength between the adsorbate and adsorbent. The analysis of the electronic structure includes calculations of charge distribution, density of states (DOS), and visualizations of electron density difference isosurfaces. These data provide detailed insights into the redistribution of electron density during adsorption and the nature of the bonds formed. All data, including optimized crystal structures, electronic properties, and calculation results, are available in formats that can be read by commonly available text editors and specialized atomic structure visualization and analysis software. The presented dataset can serve as a foundation for further studies on the interactions of various molecules with the lizardite surface.

Crystal growth, spectra and laser properties of Tm3+ and Ho3+ co-doped GdScO3 crystal

Tm,Ho:GdScO3 single crystal was grown by the Czochralski method. Its quality and effective segregation coefficient of crystal were characterized, and spectral properties of crystal (100) plane were studied. The absorption cross-section of Tm,Ho:GdScO3 at 793 nm is 1.61 × 10−20 cm2 and emission cross-section at 2020 nm is 1.39 × 10−20 cm2. The laser performance of the crystal by 793 nm LD end-pumped was investigated. The maximum output power of 240 mW was obtained with a slope efficiency of 9.1 % in CW(continuous wave) pump mode. In pulse mode, the maximum average output power of 507 mW was achieved. The maximum slope efficiency of 13.7 % was obtained with 100 Hz and 400 μs. The laser wavelength was 2096 nm. The beam quality factors Mx2/My2 were fitted to be 1.81/1.80. These results indicate that Tm,Ho:GdScO3 crystal is a promising candidate medium for near-infrared laser application.

Electrical transport properties of topographically demorphed films of La1-xBaxMnO3 grown on (00l)-oriented LaAlO3 substrate via spin-coating method

Herein, the crystal structure, valence, and electrical transport properties of La1-xBaxMnO3 films were examined by preparing La1-xBaxMnO3 films with varying Ba content (x = 0.22, 0.24, 0.26, 0.28) on LaAlO3 substrates using the sol-gel spin coating technique. The La1-xBaxMnO3 films prepared in the study exhibit topographically demorphed and non-dense characteristics in the microstructure, which is mainly caused by the Volmer-Weber growth mode of the films and the volatilization of organic matter during the sol-gel sintering process for films preparation. The increase of Ba doping leads to MnO6 deformation, decrease in grain boundary scattering, increase in Mn4+ ion content, and enhancement of both the double exchange mechanism and the Jahn-Teller effect. The four-probe results showed that the peak resistivity of the films decreased significantly with the increase in Ba2+ doping, and the metal-insulator transition temperature (Tp) shifted to higher temperatures. Peak temperature coefficient of resistivity (TCR) corresponding temperature (Tk) increased from 283.05 K (x = 0.22) to 309.31 K (x = 0.28), which was consistent with the trend of Tp; the peak value of TCR decreased with the increase of Ba doping. When x = 0.24, the Tk of the La1-xBaxMnO3 films reach room temperature (294.25 K) with TCR = 9.01 % K−1. In conclusion, the electrical properties of La1-xBaxMnO3 can be optimized by varying the amount of Ba doping to obtain La1-xBaxMnO3 films with room-temperature Tk and higher TCR values, providing reasonable data support and theoretical explanation for the Ba doping mechanism.

PerCNet: Periodic complete representation for crystal graphs

Crystal molecules are considered as graph structures in different representation methods. A reasonable crystal representation method should capture the local and global information. However, existing methods only consider the local information of crystal molecules by modeling the bond distance and bond angle of first-order neighbors of atoms, which leads to the issue that different crystals will have the same representation. To solve this many-to-one issue, we consider the global information by further considering dihedral angles. We propose a periodic complete representation of graph modeling and a calculation algorithm for infinite extended crystal materials. A theoretical proof for the representation that satisfies the periodic completeness is provided. Based on the proposed representation, we then propose a network for predicting crystal material properties, PerCNet, with a specially designed message-passing mechanism. To our best known, we are the first work that ensures the representation corresponds one-to-one with the crystal material based on graph modeling. Extensive experiments are conducted on two large-scale real-world material benchmark datasets. The PerCNet achieves the best performance among baseline methods in terms of MAE. Our code is available at https://github.com/JiaoHuang111/PerCNet.

Interfacial crystallization behavior and properties of T1100-grade carbon fiber reinforced PEEK composites

As a semi-crystalline resin, the crystallization behavior of Polyether ether ketone at the interface between carbon fiber and resin matrix profoundly affects the interfacial properties of carbon fiber-reinforced PEEK composite. Therefore, the research on the interfacial crystallization behavior of CF/PEEK composite is of great significance. Aiming at Chinese-made T1100-grade carbon fiber and PEEK resin matrix, the effects of cooling rate and sizing agent on the interfacial crystallization behavior of T1100-grade carbon fiber/PEEK were studied by POM and DSC, and the IFSS was tested by microdebond. The experimental results show that the increase of the cooling rate and the removal of the sizing agent can improve the nucleation ability of PEEK and promote the interfacial crystallization of PEEK. PEEK starts to form transcrystallization, when the nucleus density is increased to about 0.07/μm. The interfacial crystallization behavior has an effect on the interfacial properties. The IFSS increases with increasing cooling rate and removal of sizing agent.

Electronic structure of CuxZrSe2 with tetrahedrally-coordinated Cu atoms

An experimental study of the crystal and electronic structure and properties of the quasi-two-dimensional CuxZrSe2 compound in the region of copper concentration, in which Cu atoms are tetrahedrally coordinated by the Se atoms, has been performed. A study of the magnetic, kinetic, and optical properties of CuxZrSe2 revealed that the tetrahedral coordination of the Cu by Se atoms results in the formation of a covalent bond with a probable Cu 4s/Se 4p hybridization. A combination of soft X-ray spectroscopic methods (X-ray photoelectron spectroscopy, X-ray absorption spectroscopy and resonance photoelectron spectroscopy) with optical spectroscopy, which was used to investigate the electronic structure, confirmed this assumption. The Cu 4s/Se 4p hybrid band falls into the energy gap between the Zr 4d-derived conduction band and the Se 4p-derived valence band.

Comprehensive analysis of polyethylene glycol – lauric acid as a promising phase change material: Spectroscopic, thermal, and quantum insights

The increasing need for effective and environmentally sustainable energy storage technologies has delineated phase change materials (PCMs) as prospective candidates for thermal energy storage applications. In this study, we thoroughly analyzed polyethylene glycol (PEG 400) and lauric acid (LA) as promising PCMs by applying spectroscopic study, thermal, and quantum approaches. The thermal stability and chemical compatibility of PEG – LA were investigated using FTIR and Raman spectroscopy, revealing that optimal molecular interactions and structural changes occur at temperatures ranging from −10 °C to 30 °C, especially at higher LA volume fraction (VLA ≥ 60 %), as evidenced by marked blue shifts in the Raman spectra. TGA demonstrated the 2-step degradation of the PEG – LA (6:4), representing good material stability and high thermal conductivity enhancement of 32.24 % due to synergistic interactions among PEG and LA. DSC analysis established a high capacitive energy storage of 181.5 J/g and a phase transition of solid–liquid at room temperature (30–40 °C), which better crystallization properties based on higher LHR and supercooling degree compared with pristine LA. The thermal cycling reliability and FTIR spectra demonstrated the thermal and chemical stability of PEG – LA even after 1000 cycles. Quantum DFT analysis verified the experimental results, exhibiting robust hydrogen bonding interactions that contribute to the thermal stability, phase transition processes, higher energy storage capacity, and reactivity of PEG – LA. These results highlight PEG – LA as a promising and effective PCM for various thermal energy storage applications.

Multifaceted Analysis of L-Alanine-Doped Creatininium Benzene Sulphonate Single Crystals for Optical Modulation Application

Creatininium Benzene Sulphonate (CBS) and L-Alanine-doped Creatininium Benzene Sulphonate (ACBS) single crystals were grown using the slow evaporation technique. Xpert HighScore software was utilized to determine lattice parameters including Full Width at Half Maximum (FWHM), crystallite size, and lattice strain. Fourier transform infrared spectroscopy was used to identify the functional groups present in the samples. The thermal properties of CBS and ACBS crystals were analyzed using Thermogravimetric and Differential Thermal Analysis. Optical properties including optical conductivity, extinction coefficient, and refractive index were measured using UV-Vis spectroscopy. The mechanical characteristics of both samples were studied using Vicker’s microhardness testing, and the dielectric response was recorded for various frequencies. The second harmonic generation values of samples were compared to those of potassium dihydrogen phosphate. Overall, CBS and ACBS crystals demonstrate promising characteristics as sustainable materials for optical modulation. Incorporating amino acids, such as L-Alanine, enhances the photoconductive properties of the crystals by improving charge carrier mobility and reducing recombination rates, resulting in more efficient optical modulation. This study explores the impact of doping single crystals with amino acids on their optoelectronic and dielectric properties for potential applications in optical modulation devices. Specifically, this research investigates the role of L-Alanine, a zwitterionic amino acid, in enhancing the performance of CBS single crystals, with the aim of optimizing their structural, thermal, optical, and mechanical properties for optical modulation. These findings highlight the potential of amino acid-doped single crystals in advancing optical devices, driving innovations in optoelectronics and photonics.

Fabrication of Silica Gel Reinforced, Cadmium Oxalate based Extrinsic Crystalline Materials and their Characterization

Cobalt-lead mixed cadmium oxalate (CoLMCO) and zinc-lead mixed cadmium oxalate (ZnLMCO) extrinsic crystalline materials were grown in oxalic acid embedded silica hydrogel. In an optimized gel environment, the extrinsic Co2+-Pb2+ and Zn2+-Pb2+ combinations fit well in the parental Cd2+ vacancies and emerged as distinct CoLMCO and ZnLMCO novel materials. The inherent properties of CoLMCO and ZnLMCO crystals were characterized by analytical and spectroscopic methods. Energy dispersive X-ray (EDX) analysis attached with field emission scanning electron microscope (FESEM) was employed to identify the chemical composition and morphology of the crystals. Fourier transform infrared (FTIR) spectral analysis confirmed the presence of oxalate group, water of crystallization and metal-oxygen bonds in the crystals. Thermal studies confirmed two phases of decomposition and ensured stability up to 1112.78 ºC for CoLMCO crystals and 1071.65 ºC for ZnLMCO crystals in a metal-oxide state. Bragg’s diffraction patterns revealed the high crystallinity of the materials and observed triclinic geometry in them. The UV-visible spectral studies of CoLMCO and ZnLMCO crystals showed maximum transparency to visible light and absorption in the UV region, possessing absorption maximum Amax = 1.588 and 1.276; optical band gap energies Eg = 5.638 eV and 5.845 eV, respectively. The V-I characteristics of the prepared crystals unveiled a feeble current flow (nA), exhibiting linear variation with applied DC voltage (0-200 V) leading leakage resistances of 1.187 GΩ (CoLMCO) and 5.176 GΩ (ZnLMCO). Dielectric constants of mixed crystals varied inversely with applied frequency and became almost stable at the mid-radio frequency range.

Hydroxyapatite-polymer composites with tannin as a chelating agent: crystal structure and mechanical properties

Hydroxyapatite is the main minerals in the bone as a biomaterial. The synthesis of hydroxyapatite requires additional materials to improve its mechanical properties. This research aimed to observe the ability of tannins as a chelating agent in hydroxyapatite synthesis. Hydroxyapatite was synthesized from Ca(OH)2, (NH4)2HPO4, Ca(OH)2, H3PO4, and tannin as chelating agents with precipitation method. Hydroxyapatite made from calcium and phosphate as a precursor and control the pH was 12 with the addition of Sodium Hydroxide. Then, added tannin and stirrer about 1 hour. The precipitate was dried in oven at 40°C for Hydroxyapatite using H3PO4 precursor. All the samples were characterized using FTIR, XRD, SEM and Hardness tester. Two compounds (calcium carbonate and hydroxyapatite) were obtained by using XRD analysis. The crystal size of the hydroxyapatite of 15-27 nm and hydroxyapatite-tannin of 10-29 nm. The SEM results show the surface morphology of hydroxyapatite was obtained as agglomerates or clumping. Hydroxyapatite-tannin was obtained with particle size in fields from 0.1-0.4 µm. The Hardness Tester received an average value was 28.36 N and 27.81 N for hydroxyapatite and 34.43 N dan 33.92 N for hydroxyapatite-tannin. Tannin acts as a chelating agent in the synthesis process of hydroxyapatite by the precipitation method.

Effects of Ferroelastic Domain Walls on the Macroscopic Transport and Photoluminescent Properties of Bulk CsPbBr3 Single Crystals.

The all-inorganic halide perovskite CsPbBr3 has emerged as an excellent class of semiconductive and optoelectronic materials, in which its excellent properties are strongly related to the dynamics of its microstructures, i.e., ferroelastic domain walls. Here, the influence of ferroelastic domain walls on the macroscopic charge transport and photoluminescent properties in bulk single-crystal CsPbBr3 is experimentally and intrinsically studied across wide temperature intervals. The larger area of the same domain orientation, along with denser and thinner domain walls in a bulk CsPbBr3 single crystal, is formed through the Pnma↔P4/mbm↔Pm3̅m phase transitions. Remarkable motion of the domain walls near the P4/mbm↔Pm3̅m transition point is observed using in situ polarized optical microscopy. We initially observed a sharp decrease in resistivity after inducing larger areas with long-range order and denser, thinner domain walls in the temperature range from 273 to 343 K upon heating. In addition, the ferroelastic domain walls modulate exciton-phonon interactions and enhance radiative recombination in the CsPbBr3 single crystal, which correlates with the decrease in resistivity. These results will motivate strategies to design high-performance semiconductive and optoelectronic materials or devices by inducing specific ferroelastic domain walls in metal halide perovskites.

Phase transition and ionic conductivity of pyrrolidinium-based ionic plastic crystals with magnesium salts

Abstract Despite being safe for use in secondary Mg batteries, solid electrolytes exhibit lower ionic conductivities than those of traditional liquid electrolytes. Organic ionic plastic crystals—soft crystals with excellent thermal and electrochemical stabilities and ionic conductivities—are promising solid electrolytes. Herein, we investigated the effects of various anion species and Mg salt concentrations on the properties of pyrrolidinium-based organic ionic plastic crystals (N,N-diethylpyrrolidinium bis(fluorosulfonyl)amide [[C2epyr][FSA]] and N,N-diethylpyrrolidinium bis(trifluoromethylsulfonyl)amide [[C2epyr][TFSA]]) upon Mg(TFSA)2 addition. The Mg-ion transference number (tMg2+) was measured using the Vincent–Bruce method; ionic conductivity via impedance measurements; and phase transition via differential scanning calorimetry. The phase transition behavior, dissociation state of the Mg salt, and electrochemical properties varied with the organic ionic plastic crystal anionic structure. The FSA system became liquid when the Mg salt concentration exceeded 15 mol%. The ionic conductivity of the pyrrolidinium-based organic ionic plastic crystals increased substantially with the Mg salt concentration. In the solid state, [C2epyr][FSA]/Mg(TFSA)2 (5 mol%) (FT5) showed the highest ionic conductivity (2.9 × 10−4 S cm−1 at 25 °C). The tMg2+ of FT5 at 60 °C was 0.29. Mg exhibited redox behavior in FT5 but not in [C2epyr][TFSA]/Mg(TFSA)2 (5 mol%). The FSA− structure is suitable for Mg electrochemistry and will aid in developing high-performance secondary Mg batteries.

KEARNS TEXTURE PARAMETERS AND PROPERTIES OF HEXAGONAL MONO- AND POLYCRYSTALS

Problem statement. Polycrystals' physical and mechanical properties are determined by the corresponding properties of single crystals (crystallites) that make up the polycrystal, and their distribution by orientation in the polycrystal (texture). In metals with a hexagonal structure, the use of Kearns texture parameters, which show the degree of coincidence of the hexagonal axis of crystallites with a given direction in a polycrystalline sample, allows determining the property of a polycrystal in this direction, if the properties of a single crystal in the direction of its hexagonal axis and the perpendicular direction are known. It is also possible to solve the inverse problem: determining the properties of a single crystal in the direction of its hexagonal axis and the perpendicular direction based on the properties of the polycrystal and the determined of the Kearns texture parameters. Materials and methods. Elastic and mechanical characteristics of hexagonal alloys based on titanium (Grade 1 and VT1-0) and magnesium (Mg − 10 % Li and ZE10) were studied after different types of deformation − rolling, alternating bending, and twist extrusion. The Kearns texture parameters were determined by the X-ray method based on the data of the construction of inverse pole figures (IPF) in the normal direction (ND) to the sheets plane and the rolling direction (RD). The results of the experiment. It is shown that the specified method allows to calculate the elastic and mechanical properties of the specified polycrystals after they undergo various types of deformation with an error of no more than 5−10 %, as well as to solve the inverse problem of calculating the properties of single crystals with an error of no more than 5 %. Conclusions. Using the parameters of the Cairns texture and the characteristics of single crystals of magnesium alloys ZE10, Mg 5 % Li, titanium Grade1 and VT1-0 made it possible to calculate the corresponding properties of polycrystals and their anisotropy. The use of Cairns texture parameters, experimental values of the modulus of elasticity, tensile strength and yield strength of polycrystalline sheets of the studied magnesium and titanium alloys made it possible to evaluate the characteristics. There are strong correlations between the values of the modulus of elasticity, the mechanical characteristics of the studied sheets of magnesium and titanium alloys, on the one hand, and the corresponding parameters of the Cairns texture, on the other hand.

Structure, morphology and properties of ZnS crystal irradiated by electrons of different fluences

Structure, morphology and properties of ZnS crystal irradiated by electrons of different fluences

Navigating the complexity of hybrid materials without structural dependency: PerovGNN as a map

Hybrid organic-inorganic materials, spearheaded by perovskites, have showcased exceptional potential in optical and electrical applications. However, finding suitable compositions with desired properties is challenging due to the vast, high-dimensional search space. Traditional machine learning techniques often fall short in capturing crucial interactions within the composites of hybrid organic-inorganic materials, while others necessitate structural information that is often unavailable prior to material synthesis. To address this, we propose PerovGNN, a structure-agnostic graph representation learning method for property prediction. It transforms the chemical formula of each mixed perovskite into a weighted graph of atoms, with weights representing the relative frequency of interactions between neighboring atoms. By embedding both fractional ratios and atomic features, this graph formulation effectively retains crucial mixture information and learns a superior representation required for a specific targeted property. We applied PerovGNN to experimental datasets for mixed HOIPs bandgap prediction, achieving a lower mean absolute error (MAE) of 0.0483 eV compared to other methods. New perovskites with bandgaps ranging from 1.3 to 2.0 eV were experimentally characterized, yielding a consistent MAE of 0.043 eV. Our work presents a unified model for predicting properties of inorganic, organic, and hybrid crystals, serving as a map for researchers navigating vast design spaces.

Optical properties of SiO2 opal crystals decorated with silver nanoparticles

SiO2 opal crystals decorated with silver nanoparticles (AgNPs) have been successfully fabricated. SEM analysis revealed that the SiO2 opals have an ordered region of 25–30 μm2, and AgNPs are located into the gaps between the SiO2 nanospheres. The effect of the plasmons of AgNPs on the photoluminescence of SiO2 opal crystals were investigated. Under excitation of a 325 nm laser, we observed the quenching of the intrinsic defect emission in SiO2 as the concentration of AgNPs increased. The cause of the observed photoluminescence behavior is attributed to the interaction between surface plasmon induced by AgNPs and photoluminescence centers in SiO2 opal crystals. Then, we utilized SiO2 opals crystals decorated with AgNPs as a SERS substrate. The final enhancement factor of the Raman shift was 1.64 × 107, enabling the trace detection limit for a case of malachite green to be as low as 0.05 ppm, with a relative standard deviation of less than 1.75 %. This outcome suggests the potential for direct application of the prepared substrates in ultra-fast chemical analysis.