On the structure of one-dimensional TiO2 lepidocrocite
On the structure of one-dimensional TiO2 lepidocrocite
复制标题
一维TiO2纤铁矿的结构研究
DOI：
10.1016/j.matt.2022.10.015
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发表时间：
2023
期刊：
影响因子：
18.9
通讯作者：
Barsoum, Michel W.
中科院分区：
文献类型：
--
作者：
Badr, Hussein O.;Lagunas, Francisco;Autrey, Daniel E.;Cope, Jacob;Kono, Takayuki;Torita, Takeshi;Klie, Robert F.;Hu, Yong-Jie;Barsoum, Michel W.
我们最近报道了在近环境条件下，通过与季铵氢氧化物（主要是四甲基氢氧化铵）反应，合成了一维（1D）二氧化钛基纳米丝（NFs），该纳米丝是通过不溶于水的、富含土的、无毒的含钛前驱体，如TiC、TiB2和TiSi2等。从选定的区域衍射，x射线衍射和拉曼光谱，我们先前得出结论，NF的结构是锐钛矿为基础的。利用高分辨率扫描透射电镜、拉曼光谱、低激光功率和密度泛函理论建模，我们得出结论，实际结构是基于1D二氧化钛的蛭石结构，最小截面为≈5 × 5 Å2。NFs沿[100]生长，晶格参数分别为3.78±0.01 Å和3.04±0.06 Å。它们倾向于在两个方向上自组装/堆叠，即沿着带轴。虽然面内和面外的纤维间距是NFs周围阳离子性质的函数，但在≈4 eV处的带隙却不是。
We recently reported on the synthesis of one-dimensional (1D) TiO2-based nanofilaments, (NFs) by reacting water insoluble, earth abundant, and non-toxic Ti-containing precursors, such as TiC, TiB2, and TiSi2, among others, with quaternary ammonium hydroxides, mostly tetramethylammonium hydroxide at near-ambient conditions. From selected area diffraction, X-ray diffraction, and Raman spectroscopy, we previously concluded that the NF's structure was anatase-based. Herein, using high-resolution scanning transmission electron microscopy, Raman spectroscopy, obtained using low laser power, and density functional theory modeling, we conclude that the actual structure is 1D titania lepidocrocite-based structure with minimal cross sections of ≈ 5 × 5 Å2. The NFs grow along [100] withaandclattice parameters of 3.78 ± 0.01 Å and 3.04 ± 0.06 Å. They tend to self-assemble/stack in two directions, viz. along thebandcaxes. And while in-planeandout-of-plane interfilamentous distances are functions of the nature of the cations surrounding the NFs, the band gap, at ≈ 4 eV, is not.