{"title":"Microwave-assisted synthesis of Fe/Ni co-doped BiOBr: enhanced photocatalytic performance for rhodamine B degradation under visible light irradiation","authors":"Thirawit Phonkhokkong, Surangkana Wannapop, Sulawan Kaowphong, Titipun Thongtem, Somchai Thongtem, Rattanaporn Somrit, Warut Koonnasoot","doi":"10.1007/s10854-025-15847-z","DOIUrl":"10.1007/s10854-025-15847-z","url":null,"abstract":"<div><p>Bismuth oxybromide (BiOBr) doped with varying concentrations of iron (Fe) and nickel (Ni) was synthesized using microwave radiation at a power of 300 W for 10 min. The effect of Fe–Ni co-doping on the photocatalytic degradation of rhodamine B under visible light irradiation was investigated. Characterization techniques, including X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FT-IR), UV‒visible spectrophotometry, photoluminescence spectroscopy (PL), energy dispersive X-ray spectroscopy (EDX), and X-ray photoelectron spectroscopy (XPS), were introduced for the analysis of the phase, structure, morphology, surface composition elemental states, and optical properties of the synthesized materials. Photocatalytic activity tests revealed that BiOBr doped with 0.50% Fe and Ni exhibited superior performance and the highest photocatalytic activity, accompanied by excellent stability. The observed improvement in photocatalytic activity was attributed to the presence of hydroxyl radicals (•OH) as the primary active species, as identified through analysis. These findings champion the potential of Fe–Ni co-doped BiOBr as an efficient photocatalyst for environmental remediation.</p></div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"36 28","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145196191","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Electrophoretic deposition films and photocatalytic activities for double-perovskite oxide Ba(_{2})Ce(Bi,Sb)O(_{6})","authors":"Hanako Sakou, Kazuto Hata, Michiaki Matsukawa, Minami Arakida, Kazume Nishidate, Sumio Aisawa, Kazuto Akiba, Dayal Chandra Roy","doi":"10.1007/s10854-025-15846-0","DOIUrl":"10.1007/s10854-025-15846-0","url":null,"abstract":"<div><p>Electrophoretic deposition films, crystal structures, optical properties, and photocatalytic activities for double-perovskite oxide Ba<span>(_{2})</span>Ce(Bi<span>(_{1-x})</span>Sb<span>(_{x})</span>)O<span>(_{6})</span> were demonstrated. Photocatalytic oxide films of Ba<span>(_{2})</span>Ce(Bi,Sb)O<span>(_{6})</span> were synthesized by electrophoretic deposition technique from fine powder samples. The parent sample crystalized in a monoclinic single-phase structure. For the intermediate and end-member samples, multiple phases accompanied by monoclinic and cubic structures were stabilized in our preparation technique. X-ray photoelectron spectroscopy measurements on the <i>x</i> = 0.0 and 1.0 powder samples were performed, to examine the valence state of B-site cations. Indirect bandgap energies were estimated to be 0.80 eV at <i>x</i>=0.0 and 2.82 eV at <i>x</i>=1.0 from optical spectrum measurements through Kubelka–Munk transformation. These findings were well explained by band structures on the basis of density functional theory. We revealed that the band structures, crystalline sizes, and multivalent B-site cations play a significant role in the observed photocatalytic improvements. Photocatalytic performances of Ce-based deposition thick films were discussed in comparison with their properties of powder samples.</p></div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"36 28","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10854-025-15846-0.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145196189","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Hussein Khalid Jasim, Hasan A. Hadi, Intesar H. Hashim
{"title":"Influence of synthesis time on the performance of ZnO NPs/nSi heterojunction photodetectors prepared by non-thermal jet plasma","authors":"Hussein Khalid Jasim, Hasan A. Hadi, Intesar H. Hashim","doi":"10.1007/s10854-025-15784-x","DOIUrl":"10.1007/s10854-025-15784-x","url":null,"abstract":"<div><p>In this study, zinc oxide nanoparticles (ZnO NPs)-based photodetectors were fabricated using non-thermal argon jet plasma (NTP) at different synthesis times (8, 12, and 16 min). The nanoparticles were deposited on glass and silicon substrates by drop-casting at 40 °C. The non-thermal atmospheric jet plasma (NTAPJ) was operated at an applied voltage of 14 kV and a gas flow rate of 3 L/min, and the plasma parameters were calculated to confirm its stability and efficiency in producing nanoparticles. The effect of ZnO NPs synthesis time on the structural, topographical, morphological, and optical properties of ZnO NPs films deposited on glass substrates and of ZnO NPs/Si composites was systematically studied using X-ray diffraction (XRD), energy-dispersive X-ray analysis (EDX), atomic force microscopy (AFM), field emission scanning electron microscopy (FE-SEM), UV–Vis spectroscopy, and photoluminescence (PL) spectroscopy techniques. As the synthesis time increases, FE-SEM images reveal a notable change in the morphology of ZnO nanoparticles and nanowalls, including grain distribution, higher density, and increased thickness, indicating regular development and crystallization, which demonstrates a better structure. The optical properties of ZnO nanoparticle thin films show strong absorption below 400 nm. The optical energy band gap (<span>({text{E}}_{{text{g}}})</span>) was calculated to be 3.8, 3.7, and 3.6 eV, indicating reduced crystalline size and increased thickness. Raman spectra showed peaks at 204–190 cm⁻<sup>1</sup> (E1 (LO)), 406 cm⁻<sup>1</sup> (E<sub>1</sub> (TO)), and 565 cm⁻<sup>1</sup> (A<sub>1</sub> (LO)), with increased intensity at 16 min, indicating improved crystallinity. EDX revealed an increase in Zn content from 6.5% to 17.8%. XRD revealed peaks at (100), (002), and (101), confirming the wurtzite structure with a decreasing crystalline size, which reflects a quantum confinement effect and improved crystallinity. The duration of synthesis by jet plasma was observed to affect the ZnONP's topographical roughness parameters. This study explores the impact of non-thermal plasma synthesis time on the physical properties and performance of nanostructured zinc oxide photodetectors in the UV–Vis region. This study highlights the impact of synthesis time on the ZnONPs/Si photodetector's figure of merit characteristics. It was found that the device performed best at a synthesis time of 16 min, with a responsivity of 24.8 A/W, EQE of 54%, and detectivity of 153.1 × 10<sup>11</sup> Jones at -5 V bias voltage. In addition, it demonstrated stable and unchanged properties with rise and recovery times of 0.25 s and 0.27 s, respectively. These findings can have a significant role in promoting the ZnONPs/Si photodetector responsivity.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"36 28","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145196190","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Sol–gel synthesis and characterization of lead-free Ba0.85Sr0.15TiO3-based thin-film capacitors with enhanced dielectric and energy storage performance","authors":"A. Selmi, A. E. Maayoufi, F. Jomni, J.-C. Carru","doi":"10.1007/s10854-025-15881-x","DOIUrl":"10.1007/s10854-025-15881-x","url":null,"abstract":"<div><p>Lead-free Ba<sub>0.85</sub>Sr<sub>0.15</sub>TiO<sub>3</sub> (BST) thin films ranging in thicknesses from 50 to 600 nm were deposited on platinized silicon (Pt/SiO<sub>2</sub>/Si) substrates using a spin-coating technique, successfully creating Au/BST/Pt thin capacitors. X-ray diffraction and scanning electron microscopy revealed that the BST films were crack-free, dense, and crystallized with a polycrystalline tetragonal perovskite structure. The thickness-dependent dielectric, leakage current, ferroelectric, and energy storage properties of Ba<sub>0.85</sub>Sr<sub>0.15</sub>TiO<sub>3</sub> were analyzed at room temperature. As the BST film thickness increased from 50 to 600 nm, the dielectric permittivity of films also increased from about 40 to over 320, caused by the interfacial dead layers between films and electrodes. In contrast, both the leakage current density and the dielectric losses decreased with increasing film thickness. The figure of merit shows a remarkable enhancement from 7 to 38 with the increase in thickness from 50 to 600 nm. Experimental results indicated that increases in dielectric permittivity and tunability are consistently linked to a low dielectric loss, which practically enhances the figure of merit. Additionally, the study of energy storage performance across different films revealed high and promising values for both efficiency and recoverable energy density. The highest efficiency, 70%, was achieved with a 400 nm film, which also exhibited a significant energy storage density of 7 J/cm<sup>3</sup>. These BST thin films thus show great potential as materials for manufacturing electrostatic capacitors for electrical energy storage.</p></div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"36 28","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145196194","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Paige Summers, Alexander Angeloski, Michael B. Cortie, Richard Wuhrer, Andrew M. McDonagh
{"title":"Nano to macro transition of gold nanoparticles prior to sintering","authors":"Paige Summers, Alexander Angeloski, Michael B. Cortie, Richard Wuhrer, Andrew M. McDonagh","doi":"10.1007/s10854-025-15854-0","DOIUrl":"10.1007/s10854-025-15854-0","url":null,"abstract":"<div><p>The thermal behaviour of ligand-stabilised gold nanoparticles (AuNPs) is an important consideration when using these materials to form gold films via sintering. AuNPs stabilised with butanethiol and hexadecanethiol ligands displayed quite different properties upon heating up to their sintering temperatures. Films of AuNPs bearing the longer chain stabilising ligand hexadecanethiol become liquids at 56 °C. This temperature corresponds to the melting point of dihexadecyl disulfide, a known product that forms when such AuNPs are heated. No liquid phase was observed for butanethiol-stabilised AuNPs at any temperature. Films of the hexadecanethiol-stabilised AuNPs had high resistances (> 100 MΩ) at room temperature and the short-chain butanethiol-stabilised AuNPs had resistances in the kΩ range. Small-angle X-ray scattering data showed that the butanethiol-stabilised AuNPs begin to coarsen at ~ 140 °C whilst the hexadecanethiol particles began to coarsen ~ 90 °C.</p></div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"36 28","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10854-025-15854-0.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145196195","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Design and statistical optimization of inlay-knitted joule heating textiles for wearable heat therapy","authors":"Sandeep Kumar Maurya, Shubham Singh, Apurba Das, Bipin Kumar","doi":"10.1007/s10854-025-15876-8","DOIUrl":"10.1007/s10854-025-15876-8","url":null,"abstract":"<div><p>This study presents the design, fabrication, and optimization of an inlay-knitted heating textile intended for wearable heat therapy. A low-twisted cotton sheath encapsulating stainless-steel conductive yarn was engineered into a core-sheath configuration and integrated into a rib-knit fabric via inlay knitting. A Box–Behnken Design (BBD) was employed to systematically investigate the effects of applied voltage, number of conductive yarn plies, and heating zone spacing on the surface temperature. Experimental results revealed that increasing yarn plies significantly reduced electrical resistance, thereby enhancing thermal output. The developed regression model exhibited high accuracy (<i>R</i><sup>2</sup> = 0.9902), with ANOVA confirming the statistical significance of process parameters. Optimized fabrication conditions were identified to maintain a therapeutic surface temperature of 40 °C while minimizing power consumption, verified experimentally with strong agreement to model predictions. The resultant textile demonstrated uniform, stable heating and excellent flexibility, comfort, and safety, validating its suitability for localized musculoskeletal pain relief. This approach offers a scalable pathway for producing energy-efficient, comfortable, and safe knitted heating fabrics for wearable thermal therapy.</p></div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"36 28","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145196193","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Synthesis, analysis and characterization of structural, dielectric, magnetic and optical properties of novel (1−x)BaTiO3–(x)Ba0.5Sr0.5Fe12O19 multiferroic composites for memory storage applications","authors":"Riya Malik, Ashima Hooda, Satish Khasa","doi":"10.1007/s10854-025-15759-y","DOIUrl":"10.1007/s10854-025-15759-y","url":null,"abstract":"<div><p>The current research offers valuable insight into the structural, dielectric, magnetic, and magnetoelectric properties of novel multiferroic composite system (1−<i>x</i>)BaTiO<sub>3</sub>–(<i>x</i>)Ba<sub>0.5</sub>Sr<sub>0.5</sub>Fe<sub>12</sub>O<sub>19</sub>, where <i>x</i> = (0, 0.2, 0.5, 0.8, 1) was fabricated using solid-state route. The XRD study accompanied by Rietveld Refinement validated the development of biphased composites. The Refinement patterns marked the existence of cubic phase along with the tetragonal phase in pristine ferroelectric (BaTiO<sub>3</sub>). The FESEM along with EDX put a glance on surface morphology and elemental composition of the synthesized samples. The average grain size declines with the addition of ferroelectric phase in hexaferrite. The particle size is calculated with the help of HRTEM. The <i>ε</i>′ and the tan<i>δ</i> showed low frequency and higher temperature dispersion whose value upsurges up to <i>x</i> = 0.5 and then declines. The AC analysis revealed that the samples with <i>x</i> = 0.5 exhibit higher value of AC conductivity. The AC conductivity showed increasing trend with frequency and it was observed that the curve of DC conductivity follows the Arrhenius plot. The M–H loops verified magnetic behavior with high value of coercivity in composites. The magnetoelectric coupling coefficient attained a maximum of 13.764 µV/cm.Oe for the composite sample with <i>x</i> = 0.5, confirming the multiferroic behavior in the synthesized composites. These findings contribute to understand the multifunctional properties and potential use of the composite samples. UV–Vis spectroscopy analysis was performed in DRS mode in the wavelength range of 200–2500 nm. Tauc’s plot indicated that the optical bandgap decreases as the BSFO content increases in the BT ceramic. The results suggest that the synthesized materials hold significant potential for various applications, especially in the development of optoelectronic devices functioning in the visible range.</p></div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"36 27","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145210714","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
G. Krishna Priya, S. Yusub, A. Ramesh Babu, N. Sreeram, B. S. Ananda Kumar, Ravindranadh Koutavarapu, V. Aruna
{"title":"Cogency of chromium ions in strengthening spectroscopic and dielectric properties of B2O3-Bi2O3-Al2O3-MgO glass materials","authors":"G. Krishna Priya, S. Yusub, A. Ramesh Babu, N. Sreeram, B. S. Ananda Kumar, Ravindranadh Koutavarapu, V. Aruna","doi":"10.1007/s10854-025-15867-9","DOIUrl":"10.1007/s10854-025-15867-9","url":null,"abstract":"<div><p>The multi-functional glasses 65B<sub>2</sub>O<sub>3</sub>-20Bi<sub>2</sub>O<sub>3</sub>-10Al<sub>2</sub>O<sub>3</sub>-(5-x)MgO: xCr<sub>2</sub>O<sub>3</sub> (0 ≤ x ≤ 0.5 mol%) were prepared by conventional melt quenching and heat treatment process. The samples were explored by examining X-ray diffraction (XRD), Fourier transform infrared (FTIR), Raman spectra, electron spin resonance spectra (ESR), emission spectra, optical absorption, and dielectric studies. The physical, optical, and dielectric properties of samples were investigated. The highest concentration of chromium ions is 9.845 X 10<sup>21</sup> ions/cm<sup>3</sup> for the glass doped with 0.5 mol% of Cr<sub>2</sub>O<sub>3</sub>. The studies on FTIR and Raman spectra reveal the structural changes in glasses by exhibiting an in increase in intensity of the bands due to BO<sub>3</sub> units. ESR spectra of doped glasses displayed an intense resonance signal at <i>g</i> = 4.20 due to Cr<sup>3+</sup> ions. The emission spectra of glasses exhibited a sharp peak centered at 740 nm due to <sup>4</sup>T<sub>2g</sub> → <sup>4</sup>A<sub>2g</sub> transitions of Cr<sup>3+</sup> ions. The optical absorption spectra of glasses displayed an intense absorption band centered at 615 nm. The least values of direct and indirect optical bandgap of glasses are 2.687 and 2.364 eV, respectively. Dielectric properties were investigated on a temperature scale of 30–300 °C by varying frequencies in the range of 10<sup>3</sup>–10<sup>6</sup> Hz to ascertain the suitability of glasses for various electronic and laboratory applications. The estimated maximum a.c. conductivity for a glass doped with 0.5 mol% of Cr<sub>2</sub>O<sub>3</sub> is 5.86 X 10<sup>–6</sup> (Ω-cm)<sup>−1</sup>. The glass doped with 0.5 mol% of Cr<sub>2</sub>O<sub>3</sub> was perceived as the suitable material for diverse optical and dielectric applications.</p></div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"36 27","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145211049","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Improving the stability of perovskite precursor solution by using additives","authors":"Dilek Cirak, Burak Gultekin","doi":"10.1007/s10854-025-15865-x","DOIUrl":"10.1007/s10854-025-15865-x","url":null,"abstract":"<div><p>Although perovskites are a highly alluring material in the field of solar cells and energy materials, perovskite solar cells have some instability problems. In addition to external instability factors such as humidity, temperature, and light, some instability problems occur due to the aging of the precursor solution used in cell production. With the aging of the precursor solution, phase transitions occur in the solution, and the photoactive α-phase gradually transforms into the non-photoactive δ-phase. In this study, 3,4-dibromothiophene (DBT) additive was added to the solution in order to hinder these phase transitions and to provide the stability of the precursor solution. The solutions aged at different times were coated in thin film form by the spin-coating method. XRD, UV–VIS, and AFM analyses of thin films coated with precursor solutions with and without additives were carried out. In addition, optoelectronic performance analyses of solar cells produced using these precursor solutions were carried out.</p></div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"36 27","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145210985","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zghouma El hadj Amar, Teyeb Mohamed Mahmoud, Dah Memoune, Ali Ben Ahmed
{"title":"Synthesis, structural elucidation, vibrational analysis, and optoelectronic properties of a new tetrabromocobaltate(II) complex with 4-dimethylaminopyridine ligand","authors":"Zghouma El hadj Amar, Teyeb Mohamed Mahmoud, Dah Memoune, Ali Ben Ahmed","doi":"10.1007/s10854-025-15890-w","DOIUrl":"10.1007/s10854-025-15890-w","url":null,"abstract":"<div><p>Despite the growing interest in cobalt-based hybrid complexes, the optical and electronic properties of DMAP-stabilized cobalt halides remain largely unexplored. In this study, we report the synthesis and comprehensive characterization of a novel cobalt(II) complex, DMAPCoBr<sub>4</sub> (DMAP = 4-dimethylaminopyridine). The compound was characterized by single-crystal X-ray diffraction, FTIR, Raman, UV–Visible spectroscopy, and photoluminescence studies. It crystallizes in the monoclinic system with space group <i>C2/c</i> and exhibits a distorted tetrahedral coordination geometry around Co(II). The experimental bond distances and angles were in excellent agreement with density functional theory (DFT) optimizations at the B3LYP/LanL2DZ level. Spectral data were corroborated with theoretical simulations, showing good concordance in vibrational modes and optical absorption. Electrostatic potential mapping, Mulliken charge analysis, and frontier molecular orbitals revealed electron-rich regions suitable for electrophilic interactions. The Tauc plot suggested a direct band gap of 2.13 eV, while the density of states (DOS) and photophysical data confirmed semiconducting behavior with potential optoelectronic applications. The compound also exhibits bright blue-violet fluorescence at 403 nm and a high second-order hyperpolarizability, suggesting its promise for nonlinear optical (NLO) devices. These results highlight the novelty of employing DMAP as a stabilizing ligand for cobalt tetrahalides, providing a multifunctional hybrid material with potential applications in optoelectronics, photonics, and nonlinear optics.</p></div>","PeriodicalId":646,"journal":{"name":"Journal of Materials Science: Materials in Electronics","volume":"36 27","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145210986","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}