Article ID Journal Published Year Pages File Type
5394740 Computational and Theoretical Chemistry 2012 6 Pages PDF
Abstract
► Layers of Titanium hydroxicarbides TinCn−1(OH)2 as parent phases for nanotubes. ► Models of TinCn−1(OH)2 nanotubes are designed and studied by DFT-TB method. ► Stability of all TinCn−1(OH)2 nanostructures depends on the type of OH distribution. ► Type of OH ordering determines electronic properties of TinCn−1(OH)2 layers.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Atomic structure, comparative stability and electronic properties of hydroxylated Ti2C and Ti3C2 nanotubes
Authors
, ,