{"title":"CsInTiS4量子点作为下一代材料:桥接陶瓷和半导体的可持续纳米技术","authors":"M. S. El-Bana, M. A. M. El-Mansy","doi":"10.1007/s10825-025-02374-7","DOIUrl":null,"url":null,"abstract":"<div><p>This in-depth exploration dives into the fascinating world of CslnTiS<sub>4</sub> quantum dots (QDs), uncovering their exciting potential for optoelectronics and photonics. Using X-ray diffraction (XRD), researchers found that these QDs have a unique monoclinic crystal structure, classified under <span>\\(P21\\)</span> space group. This sets them apart from typical perovskites and titanates, giving them a structural identity all their own. One standout feature is their direct forbidden bandgap of 2.22 eV, which is much smaller than the bandgaps of traditional titanate ceramics like CsAlTiO<sub>4</sub> (often above 3 eV). This narrower bandgap opens up new possibilities for visible-light applications. Advanced computational tools, like density functional theory (DFT), reveal strong interactions between the Ti-d % S-p orbitals, enhancing the material’s ability to absorb visible light. The authors highlight impressive optical properties, including high dielectric constants, refractive indices, and absorption coefficients, all pointing to excellent light–matter interactions. Notably, the material shows strong third-order nonlinear optical responses, making it ideal for cutting-edge photonic technologies. Swapping ln & S for Al & O in the CsAlTiO<sub>4</sub> framework adds even more flexibility, improving electronic transitions and boosting charge mobility. With such finely tuned bandgap, enhanced dielectric properties, and remarkable nonlinear behavior, CslnTiS<sub>4</sub>–QDs emerge as a game-changing alternative to traditional titanates. These tiny but mighty quantum dots hold immense promise for applications in solar cells, photodetectors, and advanced nonlinear optical devices that usher in a new era of materials science innovation.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"24 4","pages":""},"PeriodicalIF":2.5000,"publicationDate":"2025-06-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"CsInTiS4 quantum dots as a next-generation material: bridging ceramics and semiconductors for sustainable nanotechnology\",\"authors\":\"M. S. El-Bana, M. A. M. El-Mansy\",\"doi\":\"10.1007/s10825-025-02374-7\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>This in-depth exploration dives into the fascinating world of CslnTiS<sub>4</sub> quantum dots (QDs), uncovering their exciting potential for optoelectronics and photonics. Using X-ray diffraction (XRD), researchers found that these QDs have a unique monoclinic crystal structure, classified under <span>\\\\(P21\\\\)</span> space group. This sets them apart from typical perovskites and titanates, giving them a structural identity all their own. One standout feature is their direct forbidden bandgap of 2.22 eV, which is much smaller than the bandgaps of traditional titanate ceramics like CsAlTiO<sub>4</sub> (often above 3 eV). This narrower bandgap opens up new possibilities for visible-light applications. Advanced computational tools, like density functional theory (DFT), reveal strong interactions between the Ti-d % S-p orbitals, enhancing the material’s ability to absorb visible light. The authors highlight impressive optical properties, including high dielectric constants, refractive indices, and absorption coefficients, all pointing to excellent light–matter interactions. Notably, the material shows strong third-order nonlinear optical responses, making it ideal for cutting-edge photonic technologies. Swapping ln & S for Al & O in the CsAlTiO<sub>4</sub> framework adds even more flexibility, improving electronic transitions and boosting charge mobility. With such finely tuned bandgap, enhanced dielectric properties, and remarkable nonlinear behavior, CslnTiS<sub>4</sub>–QDs emerge as a game-changing alternative to traditional titanates. These tiny but mighty quantum dots hold immense promise for applications in solar cells, photodetectors, and advanced nonlinear optical devices that usher in a new era of materials science innovation.</p></div>\",\"PeriodicalId\":620,\"journal\":{\"name\":\"Journal of Computational Electronics\",\"volume\":\"24 4\",\"pages\":\"\"},\"PeriodicalIF\":2.5000,\"publicationDate\":\"2025-06-30\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Computational Electronics\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s10825-025-02374-7\",\"RegionNum\":4,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"ENGINEERING, ELECTRICAL & ELECTRONIC\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Computational Electronics","FirstCategoryId":"5","ListUrlMain":"https://link.springer.com/article/10.1007/s10825-025-02374-7","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"ENGINEERING, ELECTRICAL & ELECTRONIC","Score":null,"Total":0}
引用次数: 0
摘要
这次深入的探索深入到CslnTiS4量子点(QDs)的迷人世界,揭示了它们在光电子学和光子学方面令人兴奋的潜力。利用x射线衍射(XRD),研究人员发现这些量子点具有独特的单斜晶体结构,可归类为\(P21\)空间群。这使它们与典型的钙钛矿和钛酸盐区别开来,使它们具有自己的结构特征。一个突出的特点是它们的直接禁带隙为2.22 eV,这比传统的钛酸盐陶瓷如CsAlTiO4(通常在3 eV以上)的禁带隙小得多。这种更窄的带隙为可见光应用开辟了新的可能性。先进的计算工具,如密度泛函理论(DFT),揭示了Ti-d之间的强相互作用 % S-p orbitals, enhancing the material’s ability to absorb visible light. The authors highlight impressive optical properties, including high dielectric constants, refractive indices, and absorption coefficients, all pointing to excellent light–matter interactions. Notably, the material shows strong third-order nonlinear optical responses, making it ideal for cutting-edge photonic technologies. Swapping ln & S for Al & O in the CsAlTiO4 framework adds even more flexibility, improving electronic transitions and boosting charge mobility. With such finely tuned bandgap, enhanced dielectric properties, and remarkable nonlinear behavior, CslnTiS4–QDs emerge as a game-changing alternative to traditional titanates. These tiny but mighty quantum dots hold immense promise for applications in solar cells, photodetectors, and advanced nonlinear optical devices that usher in a new era of materials science innovation.
CsInTiS4 quantum dots as a next-generation material: bridging ceramics and semiconductors for sustainable nanotechnology
This in-depth exploration dives into the fascinating world of CslnTiS4 quantum dots (QDs), uncovering their exciting potential for optoelectronics and photonics. Using X-ray diffraction (XRD), researchers found that these QDs have a unique monoclinic crystal structure, classified under \(P21\) space group. This sets them apart from typical perovskites and titanates, giving them a structural identity all their own. One standout feature is their direct forbidden bandgap of 2.22 eV, which is much smaller than the bandgaps of traditional titanate ceramics like CsAlTiO4 (often above 3 eV). This narrower bandgap opens up new possibilities for visible-light applications. Advanced computational tools, like density functional theory (DFT), reveal strong interactions between the Ti-d % S-p orbitals, enhancing the material’s ability to absorb visible light. The authors highlight impressive optical properties, including high dielectric constants, refractive indices, and absorption coefficients, all pointing to excellent light–matter interactions. Notably, the material shows strong third-order nonlinear optical responses, making it ideal for cutting-edge photonic technologies. Swapping ln & S for Al & O in the CsAlTiO4 framework adds even more flexibility, improving electronic transitions and boosting charge mobility. With such finely tuned bandgap, enhanced dielectric properties, and remarkable nonlinear behavior, CslnTiS4–QDs emerge as a game-changing alternative to traditional titanates. These tiny but mighty quantum dots hold immense promise for applications in solar cells, photodetectors, and advanced nonlinear optical devices that usher in a new era of materials science innovation.
期刊介绍:
he Journal of Computational Electronics brings together research on all aspects of modeling and simulation of modern electronics. This includes optical, electronic, mechanical, and quantum mechanical aspects, as well as research on the underlying mathematical algorithms and computational details. The related areas of energy conversion/storage and of molecular and biological systems, in which the thrust is on the charge transport, electronic, mechanical, and optical properties, are also covered.
In particular, we encourage manuscripts dealing with device simulation; with optical and optoelectronic systems and photonics; with energy storage (e.g. batteries, fuel cells) and harvesting (e.g. photovoltaic), with simulation of circuits, VLSI layout, logic and architecture (based on, for example, CMOS devices, quantum-cellular automata, QBITs, or single-electron transistors); with electromagnetic simulations (such as microwave electronics and components); or with molecular and biological systems. However, in all these cases, the submitted manuscripts should explicitly address the electronic properties of the relevant systems, materials, or devices and/or present novel contributions to the physical models, computational strategies, or numerical algorithms.