A Ti L3,2 - and K- edge XANES and EXAFS study on Fe3
2018年12月1日 · The electronic structures of stoichiometric, single phase, coarse-grained CaCu 3-x Ti 4-x Fe 2x O 12 (x = 0.0, 0.1, 0.3, 0.5 and 0.7) polycrystalline ceramics have been investigated using powerful X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) spectroscopic measurements, performed near Ti L 3,2 ...
Database of ab initio L-edge X-ray absorption near edge structure
2021年6月11日 · Here, we report the development of a database of computed L-edge XANES using the multiple scattering theory-based FEFF9 code. The initial release of the database contains more than 140,000 L-edge...
Anomalous orbital structure in two-dimensional titanium dichalcogenides
2019年2月13日 · Here, by using a combination of polarization dependent X-ray absorption spectroscopy (XAS), X-ray photoelectron spectroscopy (XPS) and atomic multiplet cluster calculations, we have investigated...
Manipulating spin polarization of titanium dioxide for efficient ...
2020年1月21日 · We applied the Ti L-edge XAS measurements to reveal the complementary electronic properties of Ti compounds, which reflect the transition from Ti2p orbitals into Ti3d and 4s orbitals in the...
通过 Ti L2,3 边近边 X 射线吸收精细结构追踪均相和非均相环氧化 …
在这种情况下，X 射线吸收光谱 (XAS) 提供了元素选择性和局部对称性敏感性的独特组合。 通常，对于钛等早期过渡金属，K 边 XAS 用于原位表征和后续结构分析，对四面体物质具有高灵敏度。 Ti L 2,3边光谱学原则上是互补的，并为研究五配位和六配位物质的电子结构提供了特定的机会。 然而，由于软 X 射线的使用意味着超高真空条件，因此很少实施。 此外，数据的解释可能具有挑战性。 在这里，我们展示了 Ti L 2,3边光谱如何帮助获得有关均相和非均相环氧化催化剂的 …
Ti L 2,3 -edge XANES spectra of TiO, Ti 2 O 3 , and TiO 2 nanotube
In situ XAS at the Ti L-edge was conducted during electrochemical oxidation to probe the changes in the Ti oxidation state in the presence of different cations in H2SO4 aqueous electrolyte.
New fine structures resolved at the ELNES Ti-L2,3 edge spectra of ...
2010年7月1日 · In this work, we report Ti- L2,3 ELNES spectra of anatase and rutile nanoparticles as well as of bulk rutile, which have been recorded using a Cs probe corrected and monochromated TEM. The ELNES spectra are then compared …
Ti 2p and O 1s X-ray absorption of TiO2 polymorphs
1997年10月1日 · A strong delocalization of the excited 3d electron in this region is concluded from the RPES at the L 3 threshold of Ti. The differences in XAS are attributed to increasing strength of the crystal field caused by delocalization of the excited 3 d electron.
K 边缘和 L 边缘的钛和钛氧化物：将理论计算与 X 射线吸收和 X 射 …
使用经过良好校准的实验数据，我们证明了理论 X 射线吸收光谱 (XAS) 以及 X 射线发射光谱 (XES) 计算对钛 (Ti)、二氧化钛 (TiO) 和二氧化钛 (TiO 2) 的适用性）在 Ti K 和 L 边缘以及 OK 边缘。 XAS 和 XES 与多边方法相结合，可以详细了解材料的电子结构，因为可以探测占据态和未占据态。 实验结果与ab initio进行比较来自 OCEAN 包的计算，使用 Bethe-Salpeter 方程 (BSE) 方法。 使用每个系统的相同输入参数集在不同边缘进行计算，证明了海洋计算在不同光谱方法和 …
XANES spectra on W:L3 and L2 edges for W-doped TiO2.
Upon increasing the heating time to 3 h and above, more crystallization of the anatase TiO 2 nanoparticles was confirmed by an increased intensity ratio for the L 3 -e g subbands, as indicated in...