Pub Date : 2026-01-28DOI: 10.1016/j.optmat.2026.117926
Zhiqun Xu , Bo Hou , Pingping Fan , Zhonghua Pan , Guobin Huang , Teng Gao
The widespread use of sulfadiazine (SDZ) in veterinary medicine and its subsequent accumulation in environmental waters necessitate the development of sensitive and selective monitoring tools. This study presents a novel hierarchical core-shell fluorescent nanocomposite, FAPbBr3 PNCs@SiO2@MIP, for the ultrasensitive and selective detection of SDZ. The sensor was constructed by encapsulating water-sensitive formamidinium lead bromide perovskite nanocrystals (FAPbBr3 PNCs) with a protective silica shell, followed by the grafting of a molecularly imprinted polymer (MIP) layer. The silica coating markedly improved the aqueous stability of the PNCs, while the MIP layer provided specific recognition cavities for SDZ, enabling detection through a photoinduced electron transfer-mediated fluorescence quenching mechanism. Under optimal conditions, the sensor demonstrated a wide linear response from 0.1 to 200 ng/mL and a remarkably low detection limit of 0.03 ng/mL. It also exhibited excellent selectivity against structurally analogous sulfonamides and common interfering ions (Imprinting factor is 3.9), along with high reproducibility and stability in complex media (94.3–100.9 % for the same batch, 98.9–101.4 % and 99.2–104.2 % for different batches). The practical applicability was validated through the successful detection of SDZ in real water and pork samples (Recovery was 99.2–112.0 %, RSD was 2.3–8.9 %), yielding results in good agreement with those from the standard liquid chromatography coupled with mass spectrometry (LC-MS) method. This work establishes a robust and reliable sensing platform for trace-level SDZ monitoring in environmental and food safety applications.
{"title":"A water-stable formamidinium lead bromide perovskite nanocrystals@molecularly imprinted polymers fluorescent sensor for ultrasensitive detection of sulfadiazine","authors":"Zhiqun Xu , Bo Hou , Pingping Fan , Zhonghua Pan , Guobin Huang , Teng Gao","doi":"10.1016/j.optmat.2026.117926","DOIUrl":"10.1016/j.optmat.2026.117926","url":null,"abstract":"<div><div>The widespread use of sulfadiazine (SDZ) in veterinary medicine and its subsequent accumulation in environmental waters necessitate the development of sensitive and selective monitoring tools. This study presents a novel hierarchical core-shell fluorescent nanocomposite, FAPbBr<sub>3</sub> PNCs@SiO<sub>2</sub>@MIP, for the ultrasensitive and selective detection of SDZ. The sensor was constructed by encapsulating water-sensitive formamidinium lead bromide perovskite nanocrystals (FAPbBr<sub>3</sub> PNCs) with a protective silica shell, followed by the grafting of a molecularly imprinted polymer (MIP) layer. The silica coating markedly improved the aqueous stability of the PNCs, while the MIP layer provided specific recognition cavities for SDZ, enabling detection through a photoinduced electron transfer-mediated fluorescence quenching mechanism. Under optimal conditions, the sensor demonstrated a wide linear response from 0.1 to 200 ng/mL and a remarkably low detection limit of 0.03 ng/mL. It also exhibited excellent selectivity against structurally analogous sulfonamides and common interfering ions (Imprinting factor is 3.9), along with high reproducibility and stability in complex media (94.3–100.9 % for the same batch, 98.9–101.4 % and 99.2–104.2 % for different batches). The practical applicability was validated through the successful detection of SDZ in real water and pork samples (Recovery was 99.2–112.0 %, RSD was 2.3–8.9 %), yielding results in good agreement with those from the standard liquid chromatography coupled with mass spectrometry (LC-MS) method. This work establishes a robust and reliable sensing platform for trace-level SDZ monitoring in environmental and food safety applications.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"174 ","pages":"Article 117926"},"PeriodicalIF":4.2,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146080207","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-27DOI: 10.1016/j.optmat.2026.117928
Sultan , Md.Zafer Alam , Mohammad Jane Alam , S.M. Afzal , Salman A. Khan , M.A.N. Razvi , Shabbir Ahmad , Alimuddin
Organic nonlinear optical (NLO) materials play a crucial role in advancing photonic and optoelectronic technologies due to their high optical nonlinearity, structural tunability, and ease of fabrication. Among them, donor–π–acceptor (D–π–A) systems based on indandione and chalcone scaffolds have exhibited remarkable third-order NLO responses, largely driven by efficient intramolecular charge transfer (ICT). In this work, we report the synthesis and comprehensive characterization of a novel methoxy-substituted indandione–chalcone derivative, (Z)-2-(2,5-dimethoxybenzylidene)-5-methoxy-2,3-dihydro-1H-inden-1-one (BMDI), prepared via base-catalyzed aldol condensation. Molecular structure was confirmed using FTIR, (1H and 13C) NMR, and high-resolution mass spectrometry analysis, while thermal stability was verified by the thermogravimetric analysis (TGA). Photophysical studies revealed pronounced π–π∗ transitions, strong solvatochromism, and enhanced fluorescence, underscoring the polarity-sensitive nature of the said molecule. The optical band gap (Eg) was estimated to be 3.53 eV. Third-order NLO properties, evaluated using the Z-scan technique, indicated saturable absorption (SA) and self-defocusing behaviour. The nonlinear refractive index (n2), absorption coefficient (β), and third-order susceptibility (χ(3)) were determined to be of the order of 10−8 cm2/W, 10−4 cm/W, and 10−6 esu, respectively. The nonlinear figure of merit highlights BMDI's potential for optical switching applications. Furthermore, density functional theory (DFT) calculations were performed to validate the experimental findings. Geometry optimization, FTIR, NMR, HOMO–LUMO energy gap, frontier molecular orbital (FMO) distributions, natural bond orbital (NBO) analysis, and NLO parameters were investigated at the B3LYP/6–311++G(d,p) level, while the absorption spectra were simulated using TD-DFT. Overall, BMDI emerges as a promising multifunctional chromophore for nonlinear photonics, optical sensing, and integrated optoelectronic systems.
{"title":"Exploring the photophysical and nonlinear optical properties of a methoxy-functionalized indandione-based chalcone derivative: Experimental and theoretical insights","authors":"Sultan , Md.Zafer Alam , Mohammad Jane Alam , S.M. Afzal , Salman A. Khan , M.A.N. Razvi , Shabbir Ahmad , Alimuddin","doi":"10.1016/j.optmat.2026.117928","DOIUrl":"10.1016/j.optmat.2026.117928","url":null,"abstract":"<div><div>Organic nonlinear optical (NLO) materials play a crucial role in advancing photonic and optoelectronic technologies due to their high optical nonlinearity, structural tunability, and ease of fabrication. Among them, donor–π–acceptor (D–π–A) systems based on indandione and chalcone scaffolds have exhibited remarkable third-order NLO responses, largely driven by efficient intramolecular charge transfer (ICT). In this work, we report the synthesis and comprehensive characterization of a novel methoxy-substituted indandione–chalcone derivative, <strong><em>(Z)-2-(2,5-dimethoxybenzylidene)-5-methoxy-2,3-dihydro-1H-inden-1-one</em> (BMDI)</strong>, prepared via base-catalyzed aldol condensation. Molecular structure was confirmed using FTIR, (<sup>1</sup>H and <sup>13</sup>C) NMR, and high-resolution mass spectrometry analysis, while thermal stability was verified by the thermogravimetric analysis (TGA). Photophysical studies revealed pronounced π–π∗ transitions, strong solvatochromism, and enhanced fluorescence, underscoring the polarity-sensitive nature of the said molecule. The optical band gap (<em>E</em><sub><em>g</em></sub>) was estimated to be 3.53 eV. Third-order NLO properties, evaluated using the Z-scan technique, indicated saturable absorption (SA) and self-defocusing behaviour. The nonlinear refractive index (<em>n</em><sub><em>2</em></sub>), absorption coefficient (<em>β</em>), and third-order susceptibility (<em>χ</em><sup><em>(3)</em></sup>) were determined to be of the order of 10<sup>−8</sup> cm<sup>2</sup>/W, 10<sup>−4</sup> cm/W, and 10<sup>−6</sup> esu, respectively. The nonlinear figure of merit highlights BMDI's potential for optical switching applications. Furthermore, density functional theory (DFT) calculations were performed to validate the experimental findings. Geometry optimization, FTIR, NMR, HOMO–LUMO energy gap, frontier molecular orbital (FMO) distributions, natural bond orbital (NBO) analysis, and NLO parameters were investigated at the B3LYP/6–311++G(d,p) level, while the absorption spectra were simulated using TD-DFT. Overall, BMDI emerges as a promising multifunctional chromophore for nonlinear photonics, optical sensing, and integrated optoelectronic systems.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"174 ","pages":"Article 117928"},"PeriodicalIF":4.2,"publicationDate":"2026-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146080307","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-26DOI: 10.1016/j.optmat.2026.117921
André G. Pelosi , João V.P. Valverde , Carlos H. dos Santos , EliS.A. Ducas , Pablo J. Gonçalves , Cleber Renato Mendonça , Leonardo De Boni
We employed the femtosecond laser-induced Hyper-Rayleigh Scattering technique to measure the dispersion of the first-order molecular hyperpolarizability () of five acetamide-chalcone derivatives containing different electron-donating groups. Our results show that strongly depends on the excitation wavelength, exhibiting an approximately sevenfold increase at 750 nm compared to the static value, . We demonstrated that this effect is the result of two-photon resonance enhancement. We also observed that the dispersion increases with the electron-donating strength of the substituents, reflecting the intensification of intramolecular charge transfer (ICT) along the π-conjugated system. Both and the two-photon absorption (2 PA) cross-section show a linear increase with the Hammett constant, reinforcing the central role of ICT in the nonlinear optical response. Furthermore, we employed a phenomenological n-level model (nLM) to fit the experimental dispersion and compared it with the well-known Sum-Over-States model for 2 PA. Both models showed good agreement, resulting in similar photophysical parameters, demonstrating the consistency of the adopted treatment. Thus, this work elucidates an efficient mechanism for optimizing in acetamide-chalcone derivatives, combining appropriate molecular functionalization with the selection of the excitation spectral region.
{"title":"Tailoring the first hyperpolarizability of acetamide-chalcone derivatives","authors":"André G. Pelosi , João V.P. Valverde , Carlos H. dos Santos , EliS.A. Ducas , Pablo J. Gonçalves , Cleber Renato Mendonça , Leonardo De Boni","doi":"10.1016/j.optmat.2026.117921","DOIUrl":"10.1016/j.optmat.2026.117921","url":null,"abstract":"<div><div>We employed the femtosecond laser-induced Hyper-Rayleigh Scattering technique to measure the dispersion of the first-order molecular hyperpolarizability (<span><math><mrow><mi>β</mi></mrow></math></span>) of five acetamide-chalcone derivatives containing different electron-donating groups. Our results show that <span><math><mrow><mi>β</mi></mrow></math></span> strongly depends on the excitation wavelength, exhibiting an approximately sevenfold increase at 750 nm compared to the static value, <span><math><mrow><msub><mi>β</mi><mo>∘</mo></msub></mrow></math></span>. We demonstrated that this effect is the result of two-photon resonance enhancement. We also observed that the <span><math><mrow><mi>β</mi></mrow></math></span> dispersion increases with the electron-donating strength of the substituents, reflecting the intensification of intramolecular charge transfer (ICT) along the π-conjugated system. Both <span><math><mrow><mi>β</mi></mrow></math></span> and the two-photon absorption (2 PA) cross-section show a linear increase with the Hammett constant, reinforcing the central role of ICT in the nonlinear optical response. Furthermore, we employed a phenomenological <em>n</em>-level model (<em>n</em>LM) to fit the experimental <span><math><mrow><mi>β</mi></mrow></math></span> dispersion and compared it with the well-known Sum-Over-States model for 2 PA. Both models showed good agreement, resulting in similar photophysical parameters, demonstrating the consistency of the adopted treatment. Thus, this work elucidates an efficient mechanism for optimizing <span><math><mrow><mi>β</mi></mrow></math></span> in acetamide-chalcone derivatives, combining appropriate molecular functionalization with the selection of the excitation spectral region.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"174 ","pages":"Article 117921"},"PeriodicalIF":4.2,"publicationDate":"2026-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146080308","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We report a rapid, microwave‐assisted route to boron–nitrogen co-doped carbon dots (B,N-CDs) from lactic acid using boric acid and urea as dopants, and their immobilization on fumed SiO2 to yield a fluorescent developing powder for latent fingerprints. The B,N-CDs exhibit a steep deep-UV absorption with a shoulder at ∼280–300 nm and a single blue photoluminescence band centered at ∼430 nm (λex = 310 nm). FT-IR reveals O–H/N–H, CO/CN and C–N vibrations together with B–O features, while XRD shows a broad turbostratic (002), evidencing small sp2 domains. High-resolution XPS resolves sp2 C–C/CC with C–O/CO surface groups, pyrrolic/graphitic N, and B–O, confirming successful B,N co-doping. After immobilization, SEM shows the native chain-like morphology of fumed silica retained, and EDS detects C and N alongside Si and O, corroborating surface coverage by B,N-CDs. The composite powder is off-white in daylight yet displays intense, uniform blue emission under 365 nm illumination. Applied to natural latent fingerprints on glass, the material affords clear ridge flow and minutiae under both white light and UV; AFIT analysis yields 50–52 minutiae per print with “good” scores. This environmentally conscious, 5-min synthesis coupled with silica immobilization delivers a stable, bright, and readily handled powder, demonstrating practical potential for high-resolution latent fingerprint visualization on non-porous substrates.
{"title":"Microwave-assisted synthesis of boron and nitrogen co-doped carbon dots immobilized on SiO2 nanoparticles for high-resolution latent fingerprint detection","authors":"Sutinee Girdthep , Soontorn Suvokhiaw , Sirirat Choosakoonkriang , Gulanat Chanachinrat , Cheewita Suwanchawalit","doi":"10.1016/j.optmat.2026.117919","DOIUrl":"10.1016/j.optmat.2026.117919","url":null,"abstract":"<div><div>We report a rapid, microwave‐assisted route to boron–nitrogen co-doped carbon dots (B,N-CDs) from lactic acid using boric acid and urea as dopants, and their immobilization on fumed SiO<sub>2</sub> to yield a fluorescent developing powder for latent fingerprints. The B,N-CDs exhibit a steep deep-UV absorption with a shoulder at ∼280–300 nm and a single blue photoluminescence band centered at ∼430 nm (λ<sub>ex</sub> = 310 nm). FT-IR reveals O–H/N–H, C<img>O/C<img>N and C–N vibrations together with B–O features, while XRD shows a broad turbostratic (002), evidencing small sp<sup>2</sup> domains. High-resolution XPS resolves sp<sup>2</sup> C–C/C<img>C with C–O/C<img>O surface groups, pyrrolic/graphitic N, and B–O, confirming successful B,N co-doping. After immobilization, SEM shows the native chain-like morphology of fumed silica retained, and EDS detects C and N alongside Si and O, corroborating surface coverage by B,N-CDs. The composite powder is off-white in daylight yet displays intense, uniform blue emission under 365 nm illumination. Applied to natural latent fingerprints on glass, the material affords clear ridge flow and minutiae under both white light and UV; AFIT analysis yields 50–52 minutiae per print with “good” scores. This environmentally conscious, 5-min synthesis coupled with silica immobilization delivers a stable, bright, and readily handled powder, demonstrating practical potential for high-resolution latent fingerprint visualization on non-porous substrates.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"174 ","pages":"Article 117919"},"PeriodicalIF":4.2,"publicationDate":"2026-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146080305","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-26DOI: 10.1016/j.optmat.2026.117924
P. Manivannan, Zachariah C. Alex
In this study, a simple and low-cost U-bend optical fiber sensor functionalized with a biorecognition layer was developed for real-time glucose detection in urine. Three types of functionalized optical fiber sensor probes were fabricated using 3-aminopropyltriethoxysilane (APTES) modification: (i) APTES with glucose oxidase (GOD), (ii) APTES with graphene oxide (GO), and (iii) APTES with graphene oxide (GO) and glucose oxidase (GOD). The sensor operates on evanescent wave interaction, enabling glucose detection over a wide concentration range of 0.1–400 mg/dL, covering both normal and diabetic conditions. Glucose solutions were validated using a Glucose LS enzymatic reagent, showing a strong correlation (R2 = 0.978) between concentration and absorbance, proving the method to be accurate and reliable. The structural and chemical characterization using XRD, SEM, FESEM, and FTIR confirmed the functionalization and layer deposition. The incorporation of GO provided a high surface area and abundant oxygen-containing functional groups, helping GOD immobilization, structural stability, and bioactivity retention, leading to improved sensing performance. The spectral analysis of the SP-3 sensor probe for both broadband and single-wavelength tests revealed the highest sensitivity of 59.07 counts/mg.dL−1 at 660 nm, with LOD of 4.09 mg/dL and LOQ of 12.39 mg/dL. The sensor showed good selectivity toward glucose, minimal interference, and stable performance over 30 days (S.E = 0.0484). These results indicate that the SP-3 sensor is suitable for real-time urine glucose monitoring across the visible and NIR regions and can be integrated into a compact handheld system for diabetes monitoring.
{"title":"Highly selective U-bend fiber optic glucose sensor utilizing glucose oxidase (GOD) enzyme as a potential bioreceptor for visible and near-infrared regime operation","authors":"P. Manivannan, Zachariah C. Alex","doi":"10.1016/j.optmat.2026.117924","DOIUrl":"10.1016/j.optmat.2026.117924","url":null,"abstract":"<div><div>In this study, a simple and low-cost U-bend optical fiber sensor functionalized with a biorecognition layer was developed for real-time glucose detection in urine. Three types of functionalized optical fiber sensor probes were fabricated using 3-aminopropyltriethoxysilane (APTES) modification: (i) APTES with glucose oxidase (GOD), (ii) APTES with graphene oxide (GO), and (iii) APTES with graphene oxide (GO) and glucose oxidase (GOD). The sensor operates on evanescent wave interaction, enabling glucose detection over a wide concentration range of 0.1–400 mg/dL, covering both normal and diabetic conditions. Glucose solutions were validated using a Glucose LS enzymatic reagent, showing a strong correlation (R<sup>2</sup> = 0.978) between concentration and absorbance, proving the method to be accurate and reliable. The structural and chemical characterization using XRD, SEM, FESEM, and FTIR confirmed the functionalization and layer deposition. The incorporation of GO provided a high surface area and abundant oxygen-containing functional groups, helping GOD immobilization, structural stability, and bioactivity retention, leading to improved sensing performance. The spectral analysis of the SP-3 sensor probe for both broadband and single-wavelength tests revealed the highest sensitivity of 59.07 counts/mg.dL<sup>−1</sup> at 660 nm, with LOD of 4.09 mg/dL and LOQ of 12.39 mg/dL. The sensor showed good selectivity toward glucose, minimal interference, and stable performance over 30 days (S.E = 0.0484). These results indicate that the SP-3 sensor is suitable for real-time urine glucose monitoring across the visible and NIR regions and can be integrated into a compact handheld system for diabetes monitoring.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"174 ","pages":"Article 117924"},"PeriodicalIF":4.2,"publicationDate":"2026-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146080310","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-24DOI: 10.1016/j.optmat.2026.117920
Sangeetha Balabhadra , Haoming Xu , Jiajia Cai , Chang-Kui Duan , Michael F. Reid , Jon-Paul R. Wells
The formation of heterogeneous lanthanide-ion clusters in CaF was investigated experimentally and computationally. CaF nanoparticles co-doped with 20 mol% Yb and 2 mol% Ln (Ln = Ce, Pr, Nd, Sm, Eu, Gd, Ho, Er, and Tm) were synthesized via a hydrothermal method. The structural and morphological properties were characterized using powder X-ray diffraction, dynamic light scattering, and transmission electron microscopy techniques. High-resolution Fourier transform infra-red spectroscopy revealed the presence of Yb isolated cubic centers and various cluster sites. The relative concentration of the clusters varied with the choice of the co-doping ion. Calculations based on density functional theory were used to estimate the formation energies and local coordination structures of different clusters. The calculations indicate that the neutral aggregations containing Ln tend to decrease across the lanthanide series, while the negatively charged derivatives of hexameric clusters are relatively constant. This variation matches the experimental results. This study advances understanding of the clustering mechanisms in lanthanide-doped CaF nanoparticles and has implications for luminescence optimization in advanced nanomaterials.
{"title":"Lanthanide-dependent clustering in Yb3+/Ln3+ co-doped CaF2 nanocrystals: Correlating spectroscopic signatures with DFT insights","authors":"Sangeetha Balabhadra , Haoming Xu , Jiajia Cai , Chang-Kui Duan , Michael F. Reid , Jon-Paul R. Wells","doi":"10.1016/j.optmat.2026.117920","DOIUrl":"10.1016/j.optmat.2026.117920","url":null,"abstract":"<div><div>The formation of heterogeneous lanthanide-ion clusters in CaF<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> was investigated experimentally and computationally. CaF<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> nanoparticles co-doped with 20 mol% Yb<span><math><msup><mrow></mrow><mrow><mn>3</mn><mo>+</mo></mrow></msup></math></span> and 2 mol% Ln<span><math><msup><mrow></mrow><mrow><mn>3</mn><mo>+</mo></mrow></msup></math></span> (Ln<span><math><msup><mrow></mrow><mrow><mn>3</mn><mo>+</mo></mrow></msup></math></span> = Ce<span><math><msup><mrow></mrow><mrow><mn>3</mn><mo>+</mo></mrow></msup></math></span>, Pr<span><math><msup><mrow></mrow><mrow><mn>3</mn><mo>+</mo></mrow></msup></math></span>, Nd<span><math><msup><mrow></mrow><mrow><mn>3</mn><mo>+</mo></mrow></msup></math></span>, Sm<span><math><msup><mrow></mrow><mrow><mn>3</mn><mo>+</mo></mrow></msup></math></span>, Eu<span><math><msup><mrow></mrow><mrow><mn>3</mn><mo>+</mo></mrow></msup></math></span>, Gd<span><math><msup><mrow></mrow><mrow><mn>3</mn><mo>+</mo></mrow></msup></math></span>, Ho<span><math><msup><mrow></mrow><mrow><mn>3</mn><mo>+</mo></mrow></msup></math></span>, Er<span><math><msup><mrow></mrow><mrow><mn>3</mn><mo>+</mo></mrow></msup></math></span>, and Tm<span><math><msup><mrow></mrow><mrow><mn>3</mn><mo>+</mo></mrow></msup></math></span>) were synthesized via a hydrothermal method. The structural and morphological properties were characterized using powder X-ray diffraction, dynamic light scattering, and transmission electron microscopy techniques. High-resolution Fourier transform infra-red spectroscopy revealed the presence of Yb<span><math><msup><mrow></mrow><mrow><mn>3</mn><mo>+</mo></mrow></msup></math></span> isolated cubic centers and various cluster sites. The relative concentration of the clusters varied with the choice of the co-doping ion. Calculations based on density functional theory were used to estimate the formation energies and local coordination structures of different clusters. The calculations indicate that the neutral <span><math><msub><mrow><mi>C</mi></mrow><mrow><mn>4</mn><mi>v</mi></mrow></msub></math></span> aggregations containing Ln<span><math><msup><mrow></mrow><mrow><mn>3</mn><mo>+</mo></mrow></msup></math></span> tend to decrease across the lanthanide series, while the negatively charged derivatives of hexameric clusters are relatively constant. This variation matches the experimental results. This study advances understanding of the clustering mechanisms in lanthanide-doped CaF<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span> nanoparticles and has implications for luminescence optimization in advanced nanomaterials.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"174 ","pages":"Article 117920"},"PeriodicalIF":4.2,"publicationDate":"2026-01-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146080246","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-23DOI: 10.1016/j.optmat.2026.117907
Stevan Stojadinović , Aleksandar Ćirić
This study examines the structural and photoluminescent properties of HfO2 coatings doped with Er3+ and co-doped with Yb3+, prepared on hafnium substrates using the plasma electrolytic oxidation (PEO) technique with electrolytes containing Er2O3 and Yb2O3 particles. The coatings are crystalline and consist of monoclinic and tetragonal phases of HfO2 Incorporation of Er and Yb into the HfO2 lattice induces a phase transformation, stabilizing the tetragonal phase. Up-conversion (UC) photoluminescence (PL) of HfO2:Er3+ and HfO2:Er3+/Yb3+ under 980 nm excitation shows characteristic green (2H11/2, 4S3/2 → 4I15/2) and red (4F9/2 → 4I15/2) emissions from Er3+. Increasing the Er3+ concentration enhances the total UC PL intensity, with a disproportionate increase in red emission, attributed to concentration-dependent cross-relaxation processes that populate the 4I13/2 level, followed by excited state absorption. Co-doping HfO2:Er3+ with Yb3+ results in a significant enhancement of UC PL intensity, up to 30 times at the optimal Yb2O3 concentration of 1 g/L in the electrolyte. This enhancement is due to efficient energy transfer from the Yb3+ sensitizer to the Er3+ activator. Furthermore, the Er3+ red emission is preferentially enhanced due to a phonon-assisted Er3+ to Yb3+ energy back-transfer process, which efficiently depopulates the green-emitting 4S3/2 level and increases the population of the red-emitting 4F9/2 level. Down-conversion (DC) PL excitation and emission spectra of HfO2:Er3+ and HfO2:Er3+/Yb3+ display sharp peaks corresponding to f–f transitions of Er3+, with intensities directly proportional to the Er3+ concentration. In HfO2:Er3+/Yb3+, the DC PL intensity decreases as the Yb3+ concentration increases, particularly for the green emission. This reduction is attributed to energy transfer via cross-relaxation from excited Er3+ to Yb3+, which quenches the visible emission from Er3+.
{"title":"Tunable up-conversion and down-conversion photoluminescence of HfO2:Er3+ and HfO2:Er3+/Yb3+ coatings formed by plasma electrolytic oxidation of hafnium","authors":"Stevan Stojadinović , Aleksandar Ćirić","doi":"10.1016/j.optmat.2026.117907","DOIUrl":"10.1016/j.optmat.2026.117907","url":null,"abstract":"<div><div>This study examines the structural and photoluminescent properties of HfO<sub>2</sub> coatings doped with Er<sup>3+</sup> and co-doped with Yb<sup>3+</sup>, prepared on hafnium substrates using the plasma electrolytic oxidation (PEO) technique with electrolytes containing Er<sub>2</sub>O<sub>3</sub> and Yb<sub>2</sub>O<sub>3</sub> particles. The coatings are crystalline and consist of monoclinic and tetragonal phases of HfO<sub>2</sub> Incorporation of Er and Yb into the HfO<sub>2</sub> lattice induces a phase transformation, stabilizing the tetragonal phase. Up-conversion (UC) photoluminescence (PL) of HfO<sub>2</sub>:Er<sup>3+</sup> and HfO<sub>2</sub>:Er<sup>3+</sup>/Yb<sup>3+</sup> under 980 nm excitation shows characteristic green (<sup>2</sup>H<sub>11/2</sub>, <sup>4</sup>S<sub>3/2</sub> → <sup>4</sup>I<sub>15/2</sub>) and red (<sup>4</sup>F<sub>9/2</sub> → <sup>4</sup>I<sub>15/2</sub>) emissions from Er<sup>3+</sup>. Increasing the Er<sup>3+</sup> concentration enhances the total UC PL intensity, with a disproportionate increase in red emission, attributed to concentration-dependent cross-relaxation processes that populate the <sup>4</sup>I<sub>13/2</sub> level, followed by excited state absorption. Co-doping HfO<sub>2</sub>:Er<sup>3+</sup> with Yb<sup>3+</sup> results in a significant enhancement of UC PL intensity, up to 30 times at the optimal Yb<sub>2</sub>O<sub>3</sub> concentration of 1 g/L in the electrolyte. This enhancement is due to efficient energy transfer from the Yb<sup>3+</sup> sensitizer to the Er<sup>3+</sup> activator. Furthermore, the Er<sup>3+</sup> red emission is preferentially enhanced due to a phonon-assisted Er<sup>3+</sup> to Yb<sup>3+</sup> energy back-transfer process, which efficiently depopulates the green-emitting <sup>4</sup>S<sub>3/2</sub> level and increases the population of the red-emitting <sup>4</sup>F<sub>9/2</sub> level. Down-conversion (DC) PL excitation and emission spectra of HfO<sub>2</sub>:Er<sup>3+</sup> and HfO<sub>2</sub>:Er<sup>3+</sup>/Yb<sup>3+</sup> display sharp peaks corresponding to f–f transitions of Er<sup>3+</sup>, with intensities directly proportional to the Er<sup>3+</sup> concentration. In HfO<sub>2</sub>:Er<sup>3+</sup>/Yb<sup>3+</sup>, the DC PL intensity decreases as the Yb<sup>3+</sup> concentration increases, particularly for the green emission. This reduction is attributed to energy transfer via cross-relaxation from excited Er<sup>3+</sup> to Yb<sup>3+</sup>, which quenches the visible emission from Er<sup>3+</sup>.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"174 ","pages":"Article 117907"},"PeriodicalIF":4.2,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146080245","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-23DOI: 10.1016/j.optmat.2026.117917
Murilo Neco Saraiva, Orlando Marbello Ospina, Lucas Konaka Nolasco, Renan Souza Cunha, Lucas Nunes Sales de Andrade, Sergio Ricardo Muniz, Cleber Renato Mendonca
Diamond hosts a variety of lattice defects, among which nitrogen-vacancy (NV) centers stand out due to their relevance in quantum photonics with optically addressable qubits. Yet, the complex laser–material interactions governing its formation are not fully understood, and the influence of laser parameters on NV generation still raises open questions. Here, we investigate the generation of NV centers using principal component analysis (PCA) and artificial neural networks (ANNs) as predictive tools based on femtosecond laser parameters. Experimental results from femtosecond laser micromachining of diamond provided the dataset for our analysis. We employed PCA to reduce data dimensionality and uncover dominant experimental trends, while a multilayer perceptron model was trained to predict NV center generation under simulated conditions. GridSearch optimization and Leave-One-Out cross-validation (LOOCV) ensured the best performance and robustness of the ANN. Our results reveal that NV center generation is directly proportional to laser peak fluence and inversely proportional to pulse duration and excitation wavelength. Notably, PCA and ANN modeling independently converged on consistent trends, reinforcing the reliability of the observed parameter–defect relationships. This convergence supports the development of predictive frameworks for controlled color center generation in diamond with greater precision.
{"title":"Predicting fs-laser-induced NV centers with PCA and neural networks","authors":"Murilo Neco Saraiva, Orlando Marbello Ospina, Lucas Konaka Nolasco, Renan Souza Cunha, Lucas Nunes Sales de Andrade, Sergio Ricardo Muniz, Cleber Renato Mendonca","doi":"10.1016/j.optmat.2026.117917","DOIUrl":"10.1016/j.optmat.2026.117917","url":null,"abstract":"<div><div>Diamond hosts a variety of lattice defects, among which nitrogen-vacancy (NV) centers stand out due to their relevance in quantum photonics with optically addressable qubits. Yet, the complex laser–material interactions governing its formation are not fully understood, and the influence of laser parameters on NV generation still raises open questions. Here, we investigate the generation of NV centers using principal component analysis (PCA) and artificial neural networks (ANNs) as predictive tools based on femtosecond laser parameters. Experimental results from femtosecond laser micromachining of diamond provided the dataset for our analysis. We employed PCA to reduce data dimensionality and uncover dominant experimental trends, while a multilayer perceptron model was trained to predict NV center generation under simulated conditions. GridSearch optimization and Leave-One-Out cross-validation (LOOCV) ensured the best performance and robustness of the ANN. Our results reveal that NV center generation is directly proportional to laser peak fluence and inversely proportional to pulse duration and excitation wavelength. Notably, PCA and ANN modeling independently converged on consistent trends, reinforcing the reliability of the observed parameter–defect relationships. This convergence supports the development of predictive frameworks for controlled color center generation in diamond with greater precision.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"174 ","pages":"Article 117917"},"PeriodicalIF":4.2,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146080306","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-23DOI: 10.1016/j.optmat.2026.117878
Mohammad Arab, Akbar Eshaghi, Ehsan Mohammad Sharifi
CZTS is considered a strong contender for third-generation solar cell technologies due to its composition of Earth abundant, low-cost, and non-toxic elements. However, achieving high quality CZTS thin films through scalable and economically viable synthesis routes remains a considerable challenge. This study addresses that gap by optimizing three key fabrication parameters using a practical and cost effective pneumatic spray pyrolysis technique. The process optimization was guided by the Taguchi method, which systematically evaluated the effects of three variables substrate temperature, annealing temperature, and annealing time each tested at three levels. After deposition, all samples were characterized using X-ray diffraction (XRD), and the data were thoroughly analyzed using specialized software. The analysis identified the optimal synthesis conditions for obtaining a pure CZTS phase, a substrate temperature of 300 °C, an annealing temperature of 510 °C, and an annealing duration of 70 min. To validate these optimal parameters, a CZTS sample was fabricated under the defined conditions and subjected to comprehensive characterization, including XRD, field emission scanning electron microscopy (FESEM), energy dispersive X-ray spectroscopy (EDS), Raman spectroscopy, Fourier transform infrared spectroscopy (FTIR), atomic force microscopy (AFM), and diffuse reflectance spectroscopy (DRS). The results confirmed that the sample exhibited structural integrity and favorable optical and electrical characteristics suitable for photovoltaic applications. Notably, DRS analysis showed that the optimized CZTS film had strong absorption throughout the visible spectrum and featured a direct band gap of 1.61 eV an ideal value for solar energy conversion. These findings reinforce the potential of this synthesis route for producing high performance CZTS absorber layers on a commercial scale.
{"title":"Controlling copper zinc tin sulfide (CZTS) absorber layer properties through pneumatic spray pyrolysis deposition parameters","authors":"Mohammad Arab, Akbar Eshaghi, Ehsan Mohammad Sharifi","doi":"10.1016/j.optmat.2026.117878","DOIUrl":"10.1016/j.optmat.2026.117878","url":null,"abstract":"<div><div>CZTS is considered a strong contender for third-generation solar cell technologies due to its composition of Earth abundant, low-cost, and non-toxic elements. However, achieving high quality CZTS thin films through scalable and economically viable synthesis routes remains a considerable challenge. This study addresses that gap by optimizing three key fabrication parameters using a practical and cost effective pneumatic spray pyrolysis technique. The process optimization was guided by the Taguchi method, which systematically evaluated the effects of three variables substrate temperature, annealing temperature, and annealing time each tested at three levels. After deposition, all samples were characterized using X-ray diffraction (XRD), and the data were thoroughly analyzed using specialized software. The analysis identified the optimal synthesis conditions for obtaining a pure CZTS phase, a substrate temperature of 300 °C, an annealing temperature of 510 °C, and an annealing duration of 70 min. To validate these optimal parameters, a CZTS sample was fabricated under the defined conditions and subjected to comprehensive characterization, including XRD, field emission scanning electron microscopy (FESEM), energy dispersive X-ray spectroscopy (EDS), Raman spectroscopy, Fourier transform infrared spectroscopy (FTIR), atomic force microscopy (AFM), and diffuse reflectance spectroscopy (DRS). The results confirmed that the sample exhibited structural integrity and favorable optical and electrical characteristics suitable for photovoltaic applications. Notably, DRS analysis showed that the optimized CZTS film had strong absorption throughout the visible spectrum and featured a direct band gap of 1.61 eV an ideal value for solar energy conversion. These findings reinforce the potential of this synthesis route for producing high performance CZTS absorber layers on a commercial scale.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"174 ","pages":"Article 117878"},"PeriodicalIF":4.2,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146080243","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-22DOI: 10.1016/j.optmat.2026.117896
Junheng Yuan, Dedan Mu, Ziyi Zhang, Hao Song, Linglu Kuang, Bin Meng, Xu Tian, Jie Yu
Organic-inorganic hybrid metal halide perovskites (OIMHPs) are emerging as next-generation optoelectronic materials, exhibiting superior luminescence and scintillation properties that make them highly suitable for light-emitting diodes (LEDs) and X-ray detection. To fully realize their potential, the development of OIMHPs with superior quantum efficiency and enhanced optical performance remains a significant obstacle. Herein, we report the successful synthesis of a (C25H22P)2MnBr4 perovskite by employing benzyl triphenyl phosphorus bromide ([C25H22P]+) as the organic A-site cation. The synthesized material demonstrates an exceptional near-unity photoluminescence quantum yield (PLQY) of 92 % under 465 nm excitation, which is attributed to the strategic isolation of [MnBr4]2- units through the incorporation of sterically demanding organic groups at the A-site. This structural engineering strategy effectively reduces non-radiative transitions between Mn2+ ions, thereby substantially improving luminous efficiency. The resulting perovskite exhibits remarkable thermal stability, superior photoluminescence characteristics, and excellent scintillation performance, making it an ideal candidate for fabricating high-color-purity LEDs and high-efficiency scintillation screens. Furthermore, the material's low toxicity, cost-effective synthesis route, and straightforward preparation process position it as a highly promising candidate for a wide range of advanced optical applications.
{"title":"Ultrahigh quantum yield in organic-inorganic hybrid metal halide perovskites: LED and X-ray imaging applications","authors":"Junheng Yuan, Dedan Mu, Ziyi Zhang, Hao Song, Linglu Kuang, Bin Meng, Xu Tian, Jie Yu","doi":"10.1016/j.optmat.2026.117896","DOIUrl":"10.1016/j.optmat.2026.117896","url":null,"abstract":"<div><div>Organic-inorganic hybrid metal halide perovskites (OIMHPs) are emerging as next-generation optoelectronic materials, exhibiting superior luminescence and scintillation properties that make them highly suitable for light-emitting diodes (LEDs) and X-ray detection. To fully realize their potential, the development of OIMHPs with superior quantum efficiency and enhanced optical performance remains a significant obstacle. Herein, we report the successful synthesis of a (C<sub>25</sub>H<sub>22</sub>P)<sub>2</sub>MnBr<sub>4</sub> perovskite by employing benzyl triphenyl phosphorus bromide ([C<sub>25</sub>H<sub>22</sub>P]<sup>+</sup>) as the organic A-site cation. The synthesized material demonstrates an exceptional near-unity photoluminescence quantum yield (PLQY) of 92 % under 465 nm excitation, which is attributed to the strategic isolation of [MnBr<sub>4</sub>]<sup>2-</sup> units through the incorporation of sterically demanding organic groups at the A-site. This structural engineering strategy effectively reduces non-radiative transitions between Mn<sup>2+</sup> ions, thereby substantially improving luminous efficiency. The resulting perovskite exhibits remarkable thermal stability, superior photoluminescence characteristics, and excellent scintillation performance, making it an ideal candidate for fabricating high-color-purity LEDs and high-efficiency scintillation screens. Furthermore, the material's low toxicity, cost-effective synthesis route, and straightforward preparation process position it as a highly promising candidate for a wide range of advanced optical applications.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"174 ","pages":"Article 117896"},"PeriodicalIF":4.2,"publicationDate":"2026-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146080206","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}