Journal of Nanoparticle Research最新文献

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Synthesis of Au nanoparticles by the reaction of HAuCl4·nH2O with organoaluminum compounds 用HAuCl4·nH2O与有机铝化合物反应合成金纳米颗粒
IF 2.1 4区 材料科学
Journal of Nanoparticle Research Pub Date : 2025-05-02 DOI: 10.1007/s11051-025-06328-9
Lyudmila V. Parfenova, Almira Kh. Bikmeeva, Pavel V. Kovyazin, Eldar R. Palatov, Leonard M. Khalilov, Nina M. Ivanova, Semen N. Sergeev
{"title":"Synthesis of Au nanoparticles by the reaction of HAuCl4·nH2O with organoaluminum compounds","authors":"Lyudmila V. Parfenova,&nbsp;Almira Kh. Bikmeeva,&nbsp;Pavel V. Kovyazin,&nbsp;Eldar R. Palatov,&nbsp;Leonard M. Khalilov,&nbsp;Nina M. Ivanova,&nbsp;Semen N. Sergeev","doi":"10.1007/s11051-025-06328-9","DOIUrl":"10.1007/s11051-025-06328-9","url":null,"abstract":"<div><p>The reaction of HAuCl<sub>4</sub><sup>.</sup>nH<sub>2</sub>O with organoaluminum compounds (HAlBu<sup>i</sup><sub>2</sub> or AlR<sub>3,</sub> R = Me, Et, Bu<sup>i</sup>) in organic solvents, followed by hydrolysis in the presence of a tertiary thiol (5-methylundecane-5-thiol), afforded gold nanoparticles (AuNPs). Particle sizes and size distributions depended largely on the structure of the original organoaluminum reagent and the nature of the solvent. The smallest particle sizes ranging from 2 to 20 nm were observed when reducing HAuCl<sub>4</sub> with HAlBu<sup>i</sup><sub>2</sub>. Nanoparticles have been characterized by the means of scanning transmission electron microscopy, photon cross-correlation spectroscopy, X-ray photoelectron spectroscopy, and UV–Vis spectroscopy. The proposed method may be further utilized for the deposition of metal nanoparticles onto solid supports for applications in catalysis and other fields.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 5","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143900661","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}
引用次数: 0
P123-CoMgAl composite for sustainable and high-conversion epoxide ring-opening polymerization 可持续高转化率环氧化合物开环聚合的P123-CoMgAl复合材料
IF 2.1 4区 材料科学
Journal of Nanoparticle Research Pub Date : 2025-05-01 DOI: 10.1007/s11051-025-06316-z
Xiaoyan Cao, Xiao Xu, Gongming Wu, Zhenggui Gu
{"title":"P123-CoMgAl composite for sustainable and high-conversion epoxide ring-opening polymerization","authors":"Xiaoyan Cao,&nbsp;Xiao Xu,&nbsp;Gongming Wu,&nbsp;Zhenggui Gu","doi":"10.1007/s11051-025-06316-z","DOIUrl":"10.1007/s11051-025-06316-z","url":null,"abstract":"<div><p>The ring-opening polymerization lays the foundation for synthesizing polypropylene glycol. Nevertheless, homogeneous alkali catalysts usually require complex post-treatments, hindering green synthesis and environmental sustainability. Here, we studied a heterogeneous epoxide polymerization method based on a P123-modified nanocomposite layered double oxide (CoMgAl-LDO(P123)). Thereafter, the composition, crystal structure, morphology, and thermal stability of the catalyst were characterized through SEM, XRD, FTIR, XPS, BET, and TG-DTG techniques. The results indicated that due to the designable and self-assembled P123 micelles, CoMgAl-LDO(P123) generated consistent mesoporous channels and a larger specific surface area. The introduction of cobalt enriched the alkaline sites on the CoMgAl-LDO(P123) surface. In the synthesis of small molecular weight poly(propylene glycol) (i.e., number average molecular weight less than 500), the catalytic performance of CoMgAl-LDO(P123) for the conversion of propylene oxide reached 96.3% under the optimal reaction conditions, which was superior to that of other catalysts. Our strategy addresses the trade-off issue that alkali catalysts faced in terms of sustainability and operational complexity, holding great promise in green chemistry.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 5","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143892714","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}
引用次数: 0
Enhanced photocatalytic degradation efficiency for TiO2-carbon dots composite catalyst prepared via calcination-hydrothermal sequential treatment 煅烧-水热序贯法制备tio2 -碳点复合催化剂,提高了光催化降解效率
IF 2.1 4区 材料科学
Journal of Nanoparticle Research Pub Date : 2025-04-30 DOI: 10.1007/s11051-025-06325-y
Yungang Yuan, Zhuang Xiang, Yongjian Tong, Zhili Peng
{"title":"Enhanced photocatalytic degradation efficiency for TiO2-carbon dots composite catalyst prepared via calcination-hydrothermal sequential treatment","authors":"Yungang Yuan,&nbsp;Zhuang Xiang,&nbsp;Yongjian Tong,&nbsp;Zhili Peng","doi":"10.1007/s11051-025-06325-y","DOIUrl":"10.1007/s11051-025-06325-y","url":null,"abstract":"<div><p>Carbon dots (CDs) exhibit great potential in modifying TiO<sub>2</sub> to enhance its photocatalytic capacities. However, the influence of different compositing approaches on the TiO<sub>2</sub>/CDs photocatalytic performance has not been carefully studied. In this study, CDs-modified TiO<sub>2</sub> photocatalysts were prepared via hydrothermal treatment, direct calcination, and calcination-hydrothermal sequential treatment, respectively. Careful study revealed that the third catalyst demonstrated the most enhanced photocatalytic performance because in this synthesis approach; CDs not only improved the light absorption capacity of TiO<sub>2</sub> and increased the lifetime of charge carriers, but also enlarged the specific surface area of TiO<sub>2</sub>. With further optimization in CDs mass ratios, the degradation efficiencies of MB and RhB by the optimum catalyst were increased by 18% and 21%, respectively, from that of the pristine TiO<sub>2</sub>, highlighting the great potential of CDs as modification agents to enhance the photocatalytic performance of traditional photocatalysts.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 5","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143888764","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}
引用次数: 0
Study on influence of pore structure on photocatalytic performance of nano-TiO2 cement paste 孔结构对纳米tio2水泥浆光催化性能影响的研究
IF 2.1 4区 材料科学
Journal of Nanoparticle Research Pub Date : 2025-04-29 DOI: 10.1007/s11051-025-06320-3
Xueli Nan, Jiang Fan, Jianrui Ji, Shuo Wang, Mengge Zhu, Weibin Tang
{"title":"Study on influence of pore structure on photocatalytic performance of nano-TiO2 cement paste","authors":"Xueli Nan,&nbsp;Jiang Fan,&nbsp;Jianrui Ji,&nbsp;Shuo Wang,&nbsp;Mengge Zhu,&nbsp;Weibin Tang","doi":"10.1007/s11051-025-06320-3","DOIUrl":"10.1007/s11051-025-06320-3","url":null,"abstract":"<div><p>The pore structure characteristics of nano-TiO<sub>2</sub> cement paste are critical in determining its photocatalytic efficiency. In this study, the composition of the cement paste was modified to optimize the pore structure and examine its effect on photocatalytic performance. Mercury intrusion porosimetry (MIP) was utilized to characterize the pore structure of nano-TiO<sub>2</sub> cement paste, revealing that material composition significantly influences the pore structure. Photocatalytic degradation tests using methylene blue (MB) demonstrated that degradation efficiency improved with an increased water-to-binder ratio (<i>W</i>/<i>B</i>) and higher dosages of fly ash (FA) and air-entraining agent (AEA). The presence of transitional pores (10–50 nm) and capillary pores (50–1000 nm), as well as increased porosity and total pore volume, enhanced photocatalytic efficiency, while the pore surface fractal dimension showed minimal impact. Kinetic modeling and scanning electron microscopy (SEM) analyses confirmed that MB degradation by nano-TiO<sub>2</sub> cement paste follows a first-order kinetic model. Additionally, in the paste containing 0.012% AEA, the C-S–H gel exhibited a looser, network-like morphology, significantly improving photocatalytic activity.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 5","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143888701","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}
引用次数: 0
Preparation of quercetin long-circulating liposomes and their therapeutic effect on diabetic peripheral neuropathy 槲皮素长循环脂质体的制备及其对糖尿病周围神经病变的治疗作用
IF 2.1 4区 材料科学
Journal of Nanoparticle Research Pub Date : 2025-04-28 DOI: 10.1007/s11051-025-06323-0
Jing Wang, Mingjie Gong, Gongbing Tu, Bing Luo, Qilong Wang, Hui Ding, Xiulin Liang, Jie Chen
{"title":"Preparation of quercetin long-circulating liposomes and their therapeutic effect on diabetic peripheral neuropathy","authors":"Jing Wang,&nbsp;Mingjie Gong,&nbsp;Gongbing Tu,&nbsp;Bing Luo,&nbsp;Qilong Wang,&nbsp;Hui Ding,&nbsp;Xiulin Liang,&nbsp;Jie Chen","doi":"10.1007/s11051-025-06323-0","DOIUrl":"10.1007/s11051-025-06323-0","url":null,"abstract":"<div><p>Diabetic peripheral neuropathy (DPN) is a prevalent chronic complication of diabetes mellitus, which often results in significant patient discomfort. The objective of this study was to enhance the solubility and bioavailability of quercetin by loading quercetin into long-circulating liposomes (Q-LL) to ultimately achieve the goal of enhancing the therapeutic impact of quercetin on DPN. The Q-LL was synthesized using the film dispersion method, followed by a comprehensive series of characterizations as well as in vitro release and in vivo pharmacokinetic studies. Subsequently, the DPN rat model was established before the administration of free quercetin and Q-LL to the rats. The potential mechanism of Q-LL in the treatment of DPN was postulated by detecting levels of blood lipid, oxidative stress, and inflammation in rats after 4 weeks of oral administration. Q-LLs were successfully developed, which had a particle size of 110.93 ± 1.49 nm, a PDI of 0.179 ± 0.012, a zeta potential of − 25.37 ± 0.31 mV, an encapsulation efficiency (EE)% of 93.57 ± 0.19%, and a drug loading (DL)% of 9.66 ± 0.12%, as well as displayed a sustained release effect. This Q-LL significantly increased the solubility and in vivo circulation time of quercetin, thus significantly improving the bioavailability of quercetin. Q-LL may alleviate DPN by reducing levels of blood lipid, oxidative stress, and inflammatory response. Overall, Q-LL may offer a new strategy for the potential extension of the in vivo circulation of quercetin and enhancement of its bioavailability for DPN treatment.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 5","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143879741","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}
引用次数: 0
Functionalized POSS additives designed for enhanced anti-icing coating performance 功能化POSS添加剂设计用于增强防冰涂层性能
IF 2.1 4区 材料科学
Journal of Nanoparticle Research Pub Date : 2025-04-28 DOI: 10.1007/s11051-025-06262-w
Monika Pilz, Christian W. Karl, Bartlomiej Przybyszewski, Rafal B. Kozera
{"title":"Functionalized POSS additives designed for enhanced anti-icing coating performance","authors":"Monika Pilz,&nbsp;Christian W. Karl,&nbsp;Bartlomiej Przybyszewski,&nbsp;Rafal B. Kozera","doi":"10.1007/s11051-025-06262-w","DOIUrl":"10.1007/s11051-025-06262-w","url":null,"abstract":"<div><p>Environmentally friendly functionalized inorganic–organic hybrid materials (polyhedral oligomeric silsesquioxanes—POSS) imparting anti-icing properties to a commercial waterborne polyurethane coating matrix have been successfully synthesized deploying a possible industrial manufacturing route by a two-step procedure. Thereby, <sup>13</sup>C-nuclear magnetic resonance (NMR) spectroscopy was mainly used to ensure complete conversion of the given reactive polydimethylsiloxane-based modifier with selected amino-functionalized POSS intermediates at given stoichiometry. Two distinguished nanocomposite coatings based on the functionalized POSS additives were investigated for their suitability towards improved anti-icing properties. The characterization includes contact angle (CA) measurements and determination of freezing delay time (FDT) as well as scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy (SEM–EDS) to underline the results obtained. The findings clearly contribute to the complex interplay of material composition and coating interface emphasizing segregation of partly immiscible additives in the coating matrix being necessary for the enhanced water-repellence and anti-icing performance.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 5","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11051-025-06262-w.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143883693","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Hydrothermal synthesis of carbon nanodots from sucrose and sodium citrate: repeatability of structural and spectral properties 蔗糖和柠檬酸钠水热合成碳纳米点:结构和光谱性质的可重复性
IF 2.1 4区 材料科学
Journal of Nanoparticle Research Pub Date : 2025-04-24 DOI: 10.1007/s11051-025-06311-4
D. A. Gvozdev, V. V. Nesterova, E. P. Lukashev, G. V. Tsoraev, E. G. Maksimov
{"title":"Hydrothermal synthesis of carbon nanodots from sucrose and sodium citrate: repeatability of structural and spectral properties","authors":"D. A. Gvozdev,&nbsp;V. V. Nesterova,&nbsp;E. P. Lukashev,&nbsp;G. V. Tsoraev,&nbsp;E. G. Maksimov","doi":"10.1007/s11051-025-06311-4","DOIUrl":"10.1007/s11051-025-06311-4","url":null,"abstract":"<div><p>Obtaining samples with highly reproducible properties is an important prerequisite for nanoparticles in industrial and biomedical applications. In this work, we synthesized carbon nanodots (CNDs) from sucrose and sodium citrate by hydrothermal method (1 h, 190 °C) and showed high repeatability of structural and spectral properties of the obtained nanoparticles. In three groups of four samples each (12 consecutive syntheses), we did not see a statistically significant difference in the quantitative parameters of the CND surface composition and the position of the fluorescence bands (ANOVA <i>p</i>-value &gt; 0.05). The CND size, fluorescence quantum yield, and some parameters of steady-state fluorescence also show good repeatability.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 5","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143871408","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}
引用次数: 0
Computational study of bisphenol A adsorption on reduced graphene oxide: interactions, energies, pH effects, and adsorption mechanisms 双酚A在还原氧化石墨烯上吸附的计算研究:相互作用、能量、pH效应和吸附机制
IF 2.1 4区 材料科学
Journal of Nanoparticle Research Pub Date : 2025-04-23 DOI: 10.1007/s11051-025-06318-x
Thiago Soares Silva, Murielly Fernanda Ribeiro Bihain, Anna Karla dos Santos Pereira, Douglas Henrique Pereira
{"title":"Computational study of bisphenol A adsorption on reduced graphene oxide: interactions, energies, pH effects, and adsorption mechanisms","authors":"Thiago Soares Silva,&nbsp;Murielly Fernanda Ribeiro Bihain,&nbsp;Anna Karla dos Santos Pereira,&nbsp;Douglas Henrique Pereira","doi":"10.1007/s11051-025-06318-x","DOIUrl":"10.1007/s11051-025-06318-x","url":null,"abstract":"<div><p>Nanomaterials have numerous applications. One material that deserves to be highlighted is reduced graphite oxide (rGO) due to its excellent adsorption capacity. Among the emerging contaminants, bisphenol A (BPA) generates numerous problems for human health, such as hormonal changes, immune dysfunction, and type 2 diabetes mellitus. In this context, the adsorption of BPA and its form with an anionic oxygen and a protonated oxygen were studied to simulate the effect of pH on the adsorption process, elucidated through computational simulations using density functional theory. The binding energies (Δ<i>E</i><sub>Bind</sub>) and enthalpy variation (Δ<i>H</i>) for all complexes were less than zero, Δ<i>E</i><sub>Bind</sub> and Δ<i>H</i> &lt; 0.00 kcal mol<sup>−1</sup>, showing that interactions can occur and that they are exothermic. The Gibbs energy values showed that only the interactions of anionic and protonated oxygen with the matrix were spontaneous. The structural parameters were identified, and the protonation or deprotonation of the BPA hydroxyl forms stronger bonds/interactions with the rGO matrix, showing a positive effect of pH on adsorption. From the analysis of the topological parameters of the quantum theory of atoms in molecules and the non-covalent interaction, it was possible to demonstrate that the interactions are electrostatic, with the exception of those that occur between the protonation or deprotonation of the BPA hydroxyl with the matrix that forms bonds. Finally, based on the theoretical results, it can be concluded that the rGO matrix can interact with BPA and that the effect of pH improves the adsorption process. Therefore, this study could support new experimental tests for removing this emerging contaminant from effluents.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 5","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143865400","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}
引用次数: 0
Exploring the impacts of nanoparticles on animal embryotoxicity: physicochemical property and bio-barrier 探讨纳米颗粒对动物胚胎毒性的影响:物理化学性质和生物屏障
IF 2.1 4区 材料科学
Journal of Nanoparticle Research Pub Date : 2025-04-23 DOI: 10.1007/s11051-025-06322-1
Yue Xu, Xiaomin Wei, Zeqiang Sun
{"title":"Exploring the impacts of nanoparticles on animal embryotoxicity: physicochemical property and bio-barrier","authors":"Yue Xu,&nbsp;Xiaomin Wei,&nbsp;Zeqiang Sun","doi":"10.1007/s11051-025-06322-1","DOIUrl":"10.1007/s11051-025-06322-1","url":null,"abstract":"<div><p>Wide applications of nanomaterials cause substantial environmental impacts and public concerns over their toxicity when they are intentionally (such as in medicine) or unintentionally (environment exposure) introduced into the human and animals. As a susceptible population, pregnant women are particularly vulnerable to nanoparticle-induced toxicity. However, research in this aspect is still limited and many reported findings are often inconsistent even under the “similar” experimental conditions. Here, we discuss some controversial issues which impeded further progress in this research area. Issues in the discussion are crucial effects of nanoparticles’ true identity in a physical, chemical, or biological context, and the delicate effects of gestational stages during the pregnancy.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 5","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143865402","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}
引用次数: 0
Effect of bi-directional tensile strain on photoelectric properties of Si-doped of ZrS₂ 双向拉伸应变对si掺杂ZrS 2光电性能的影响
IF 2.1 4区 材料科学
Journal of Nanoparticle Research Pub Date : 2025-04-23 DOI: 10.1007/s11051-025-06317-y
Zhihong Shi, Ying Wang, Nan Yang, Jinghan Ji, Guili Liu, Guoying Zhang
{"title":"Effect of bi-directional tensile strain on photoelectric properties of Si-doped of ZrS₂","authors":"Zhihong Shi,&nbsp;Ying Wang,&nbsp;Nan Yang,&nbsp;Jinghan Ji,&nbsp;Guili Liu,&nbsp;Guoying Zhang","doi":"10.1007/s11051-025-06317-y","DOIUrl":"10.1007/s11051-025-06317-y","url":null,"abstract":"<div><p>In this paper, we explore how deformation affects the stability and optoelectronic properties of Si-doped ZrS₂ using first-principles density functional theory. A range of properties—including cohesive energy, energy bands, density of states, absorption coefficients, and reflectivity—were investigated. Structural optimization of the pristine and Si-doped systems was performed using automatic optimization methods. The study reveals that pristine monolayer ZrS₂ is an indirect bandgap material. However, Si doping alters the bandgap, leading to a transition from semiconductor to metallic properties. Moreover, bi-directional tensile and compressive strains significantly modify the electronic and optical properties. Optical analyses indicate that compressive strain significantly increases the absorption coefficient, reflectance, and energy loss of the material in the infrared and visible regions, while tensile strain significantly increases the absorption coefficient, reflectance, and energy loss of the material in the ultraviolet region. These findings offer potential guidance for applying 2D materials in photoelectric devices, sensors, and related fields.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 5","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143865401","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}
引用次数: 0
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