Pub Date : 2025-11-27DOI: 10.1007/s11051-025-06506-9
Peter L. Rodríguez-Kessler, Alvaro Muñoz-Castro
The identification of the most favorable isomers is crucial for understanding non-classical clusters. For Be5O62− cluster, a recently reported structure ascribes the most favorable isomer as a star-shaped cyclic D5h-Be5O62−, contrasting to the previously claimed linear isomer. Our results reveal the key factors that determine the most favorable isomer, which are facilitated by an increase in orbital and electrostatic stabilizing terms that overcome the increase in steric repulsion, resulting in a more compact structure. Computationally evaluated 17O-NMR and aromatic characteristics, reveals a non-aromatic behavior. The current approach is useful for further understanding the preference between isomers in non-classical clusters.
{"title":"Linear vs star-shaped Be5O62− cluster arrays. Balance between repulsion and electronic stabilizing terms","authors":"Peter L. Rodríguez-Kessler, Alvaro Muñoz-Castro","doi":"10.1007/s11051-025-06506-9","DOIUrl":"10.1007/s11051-025-06506-9","url":null,"abstract":"<div><p>The identification of the most favorable isomers is crucial for understanding non-classical clusters. For Be<sub>5</sub>O<sub>6</sub><sup>2−</sup> cluster, a recently reported structure ascribes the most favorable isomer as a star-shaped cyclic <i>D</i><sub>5h</sub>-Be<sub>5</sub>O<sub>6</sub><sup>2−</sup>, contrasting to the previously claimed linear isomer. Our results reveal the key factors that determine the most favorable isomer, which are facilitated by an increase in orbital and electrostatic stabilizing terms that overcome the increase in steric repulsion, resulting in a more compact structure. Computationally evaluated <sup>17</sup>O-NMR and aromatic characteristics, reveals a non-aromatic behavior. The current approach is useful for further understanding the preference between isomers in non-classical clusters.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 12","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145612887","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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 : 2025-11-27DOI: 10.1007/s11051-025-06496-8
A. S. Doroshkevich, E. P. Popov, A. K. Kirillov, C. Mita, N. Cornei, A. A. Tatarinova, D. Chicea, Zh. V. Mezentseva, E. B. Asgerov, N. O. Appazov, B. L. Oksengendler, D. M. Mirzayeva, E. Demir, M. N. Mirzayev
This study investigates the energy characteristics of the adsorption layer formed on the surface of ZrO2+3mol% Y2O3 nanopowder system under varying humidity conditions by thermogravimetry, electron microscopy, and nuclear magnetic resonance (NMR) spin-echo techniques. The spin–spin and spin–lattice relaxation times were determined at different relative ambient humidity. Our findings indicate slow relaxation of water molecules within the pore spaces of the samples, with a characteristic time parameter of 1.18 × 10–7 s. Furthermore, a nonlinear relationship between desorption activation energy and humidity content was observed in the system. These results suggest the potential applicability of the investigated nano powder system as an adsorption device for energy storage purposes.
{"title":"Specificity of structural-energy state of water adsorption layer of YSZ nanoparticles system at critically low degree of hydration","authors":"A. S. Doroshkevich, E. P. Popov, A. K. Kirillov, C. Mita, N. Cornei, A. A. Tatarinova, D. Chicea, Zh. V. Mezentseva, E. B. Asgerov, N. O. Appazov, B. L. Oksengendler, D. M. Mirzayeva, E. Demir, M. N. Mirzayev","doi":"10.1007/s11051-025-06496-8","DOIUrl":"10.1007/s11051-025-06496-8","url":null,"abstract":"<div><p>This study investigates the energy characteristics of the adsorption layer formed on the surface of ZrO<sub>2</sub>+3mol% Y<sub>2</sub>O<sub>3</sub> nanopowder system under varying humidity conditions by thermogravimetry, electron microscopy, and nuclear magnetic resonance (NMR) spin-echo techniques. The spin–spin and spin–lattice relaxation times were determined at different relative ambient humidity. Our findings indicate slow relaxation of water molecules within the pore spaces of the samples, with a characteristic time parameter of 1.18 × 10<sup>–7</sup> s. Furthermore, a nonlinear relationship between desorption activation energy and humidity content was observed in the system. These results suggest the potential applicability of the investigated nano powder system as an adsorption device for energy storage purposes.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 12","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145612886","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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 : 2025-11-26DOI: 10.1007/s11051-025-06513-w
Nemat Tahmasebi, Farshid Elahi, Habib Abbasi
Recently, there has been considerable interest in utilizing the photocatalytic capabilities of semiconductor nanoparticles to degrade organic pollutants under sunlight. However, their post-treatment recovery remains a challenge. This study introduces a novel BiOCl/EVA nanocomposite film designed to simplify photocatalyst separation while maintaining high photocatalytic performance. BiOCl nanoparticles were synthesized via a co-precipitation method and embedded into an ethylene-vinyl acetate (EVA) matrix using a solvent casting technique. The resulting films were characterized using X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), field emission scanning electron microscopy (FESEM), energy-dispersive spectroscopy (EDS), thermogravimetric analysis (TGA), and UV-vis diffuse reflectance spectroscopy (DRS). The films demonstrated high crystallinity, thermal stability, and uniform nanoparticle dispersion. Optical analysis via Tauc plots revealed a suitable band gap for visible-light activation. Photocatalytic tests showed that approximately 98% of rhodamine B (RhB) dye was degraded under sunlight within 120 min. Additionally, the composite retained 88% of its efficiency after four reuse cycles, confirming its stability and reusability. Finally, through the use of experimental data and the trapping of active species, the degradation mechanism of RhB was elucidated. This work presents a promising, easily recoverable photocatalyst with strong potential for practical wastewater treatment applications.