A. Nathan-Abutu, D. Lardizabal-Gutierrez, A. Reyes-Rojas
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引用次数: 0
摘要
研究人员探索了掺杂 Cs+ 的 Na2ZrO3 包晶石的合成和晶体学稳定性,以提高其在低温(500 °C)下的光学特性和二氧化碳吸附能力。透辉石纳米颗粒(20 纳米)以单斜 C 2/c 对称性结晶,在合成过程中部分转变为新的斜方(Hex)\(R\overline{3 }m\)对称性。新得到的原子坐标与它们的怀科夫位点倍率有关。Cs+ 的加入大大提高了包晶的稳定性(从 t = 0.807 提高到 t = 0.916)。光带隙分析表明,光子能量从 3.91 eV 降到了 3.54 eV,由于其低声子能量(\(ge 430 {{\text{cm}}^{-1}\) ),它成为了一种很有前途的光子材料。)此外,正如二氧化碳吸附分析中观察到的那样,铯浓度会诱导多孔结构,从而提高二氧化碳捕获能力。
Evidence of novel crystal structure in cesium-doped sodium zirconate perovskite and its impact in optical and CO2 sorption properties
The synthesis and crystallographic stability of Cs+-doped Na2ZrO3 perovskite were explored to enhance optical properties and CO2 sorption at low temperatures (500 °C). Perovskite nanoparticles (\(\sim\) 20 nm) crystallize in monoclinic C 2/c symmetry and undergo a partial transformation to a new rhombohedral (Hex) \(R\overline{3 }m\) symmetry during synthesis. The newly obtained atomic coordinates are discussed with respect to their Wyckoff site multiplicity. The incorporation of Cs+ significantly improves perovskite stability (from t = 0.807 to t = 0.916). Optical band gap analysis reveals a reduction in photon energy from 3.91 to 3.54 eV, making it a promising photonic material due to its low phonon energy (\(\ge 430 {{\text{cm}}}^{-1}\)). Additionally, Cs concentration induces a porous structure that enhances CO2 capture capacity, as observed in CO2 sorption analysis.
期刊介绍:
The objective of the Journal of Nanoparticle Research is to disseminate knowledge of the physical, chemical and biological phenomena and processes in structures that have at least one lengthscale ranging from molecular to approximately 100 nm (or submicron in some situations), and exhibit improved and novel properties that are a direct result of their small size.
Nanoparticle research is a key component of nanoscience, nanoengineering and nanotechnology.
The focus of the Journal is on the specific concepts, properties, phenomena, and processes related to particles, tubes, layers, macromolecules, clusters and other finite structures of the nanoscale size range. Synthesis, assembly, transport, reactivity, and stability of such structures are considered. Development of in-situ and ex-situ instrumentation for characterization of nanoparticles and their interfaces should be based on new principles for probing properties and phenomena not well understood at the nanometer scale. Modeling and simulation may include atom-based quantum mechanics; molecular dynamics; single-particle, multi-body and continuum based models; fractals; other methods suitable for modeling particle synthesis, assembling and interaction processes. Realization and application of systems, structures and devices with novel functions obtained via precursor nanoparticles is emphasized. Approaches may include gas-, liquid-, solid-, and vacuum-based processes, size reduction, chemical- and bio-self assembly. Contributions include utilization of nanoparticle systems for enhancing a phenomenon or process and particle assembling into hierarchical structures, as well as formulation and the administration of drugs. Synergistic approaches originating from different disciplines and technologies, and interaction between the research providers and users in this field, are encouraged.