2012年4月3日 · We used first-principles methods to generate amorphous TiO 2 (a-TiO 2) models and our simulations lead to chemically ordered amorphous networks. We analyzed the structural, electronic, and optical properties of the resulting structures and compared with crystalline phases.

TiO2) models and our simulations lead to chemically ordered amorphous networks. We analyzed the structural, electronic, and opti. al properties of the resulting structures and compared with crystalline phases. We propose that two peaks found in the Ti–T.

2019年7月9日 · In this review, we comprehensively summarize the structural characteristics, optical properties, synthesis principles and current morphologies of am-TiO 2 nanostructures. In particular, photocatalytic applications with regard to am-TiO 2 …

1998年7月1日 · The atomic arrangement in all amorphous TiO 2 materials investigated has been found to resemble that occurring in brookite, a crystalline modification of TiO 2, and to be well described as an assembly of short, staggered chains of Ti–O octahedra. The crystallization behaviour of amorphous TiO 2 materials has also been discussed.

2018年5月15日 · We find high structural similarity between a model of amorphous TiO 2, obtained by ab initio molecular-dynamics, and the B-TiO 2 crystalline polymorph. The general approach presented here sheds new light on a long-standing controversy in the structural theory of amorphous solids.

2007年6月8日 · Structural properties of amorphous TiO 2 spherical nanoparticles have been studied in models with different sizes of 2 nm, 3 nm, 4 nm and 5 nm under non-periodic boundary conditions. We use the pairwise interatomic potentials proposed by Matsui and Akaogi. Models have been obtained by cooling from the melt via molecular dynamics (MD) simulation.

2018年9月4日 · Amorphous TiO 2 (a-TiO 2) could offer an attractive alternative to conventional crystalline TiO 2 phases for photocatalytic applications. However, the atomic structure of a-TiO 2 remains poorly understood with respect to that of its crystalline counterparts.

Amorphous titania (TiO2) is an important precursor for synthesis of single-phase nanocrystalline anatase. We synthesized x-ray amorphous titania by hydrolysis of titanium ethoxide at the ice point. Transmission electron microscopy examination and nitrogen gas adsorption indicated the particle size of the synthesized titania is ~ 2 nm.

2017年3月1日 · To understand the structural properties of this amorphous oxide and investigate its local atomic structure, the researchers used x-ray absorption spectroscopy (XAS), both x-ray absorption near-edge structure (XANES) and extended x-ray absorption fine structure (EXAFS).

2024年8月1日 · TiO 2 comprises chains of TiO 6 units, where six O 2− anions surround one Ti 4+ cation, thus forming an octahedron. Depending on how the bonds between the unitary octahedron are established, different polymorphs are formed, mainly anatase (A), rutile (R), and brookite (B) (anatase and rutile phases are tetragonal, and brookite is orthorhombic [2]).