Dubey Shubha, Kumar Vipin, Dubey Kumud, Sahu Chinmay, Modi Anchit, Gautam U K, Sharma R K, Haque Fozia Z, Pagare Gitanjali, Gaur N K
Department of Physics, Barkatullah University, Bhopal, 462 026, India.
Department of Physical Electronics, School of Electrical Engineering, Tel Aviv University, Tel Aviv 699 780, Israel.
Nanoscale. 2024 Oct 3;16(38):18086-18107. doi: 10.1039/d4nr00517a.
In the present work, the synthesis of BaZrO nano-ceramics is explored through flash combustion utilizing glycine as a fuel. The resulting nanoparticles exhibit a cubic 3̄ space group and a spherical morphology with an average size of 45.31 nm. XRD and EDAX verify the integrity of the phase. FTIR and Raman spectroscopy is used to analyze the molecular bonds and their vibrations, while XPS reveals surface compositions and oxidation states. The electro-optical properties of BaZrO are explored through UV-Vis spectroscopy and electronic band structure analysis. The Tauc plot displays a pair of band gaps, with values of 3.08 eV and 3.84 eV, corresponding to indirect and direct characteristics. BaZrO demonstrates photocatalytic potential with a degradation efficiency of approximately 36.41% for rhodamine B under visible light. Electronic band structure analysis reveals an indirect band gap of 3.05 eV in BaZrO. The Bader analysis emphasizes the pronounced covalent characteristics present in the Zr-O bond. Photoluminescence spectra exhibit electronic transitions with a peak observed at 420.57 nm (∼2.94 eV), suggesting activity within the violet light spectrum. The CIE chromaticity coordinates imply prospective uses in the manufacture of violet-blue LEDs. These findings underscore the tailored properties of BaZrO nano-ceramics, showcasing their versatility for various applications, notably in advanced optoelectronic devices.
在本工作中，通过以甘氨酸为燃料的快速燃烧探索了BaZrO纳米陶瓷的合成。所得纳米颗粒呈现立方 3̄ 空间群和球形形态，平均尺寸为45.31 nm。XRD和EDAX验证了相的完整性。FTIR和拉曼光谱用于分析分子键及其振动，而XPS揭示了表面组成和氧化态。通过紫外可见光谱和电子能带结构分析探索了BaZrO的电光性质。Tauc图显示了一对带隙，值分别为3.08 eV和3.84 eV，对应于间接和直接特性。BaZrO在可见光下对罗丹明B的降解效率约为36.41%，显示出光催化潜力。电子能带结构分析表明BaZrO中的间接带隙为3.05 eV。Bader分析强调了Zr-O键中存在的明显共价特性。光致发光光谱显示电子跃迁，在420.57 nm（~2.94 eV）处观察到一个峰值，表明在紫光光谱范围内有活性。CIE色度坐标暗示了其在制造紫蓝色LED方面的潜在用途。这些发现强调了BaZrO纳米陶瓷的定制特性，展示了它们在各种应用中的多功能性，特别是在先进的光电器件中。
