Electronic and crystal structure of bi-intercalated titanium diselenide Cu_xNi_yTiSe₂

Abstract

A comprehensive study of the crystal and electronic structure of TiSe2 intercalated with two 3d metals, Cu and Ni, is presented.

Controlling the semiconductor–metal transition in Cu-intercalated TiSe2 by applying stress

“…[36][37][38][39] This confusion could be related to CDW fluctuations at room temperature, 38,40 which could affect its ''pseudo-gap'' state. 38 Upon intercalation of TiSe 2 with Cu, small Cu atoms enter the van der Waals gaps in its structure, and then, either fill the empty octahedral sites 6,[24][25][26]41,42 or form novel interstitial sites with a tetrahedral coordination (Fig. 1).…”

“…Upon intercalation of TiSe 2 with Cu, small Cu atoms enter the van der Waals gaps in its structure, and then, either fill the empty octahedral sites 6,24–26,41,42 or form novel interstitial sites with a tetrahedral coordination (Fig. 1).…”

Electronic Structure of VxTi1–xSe2 Solid Solutions with the (V,Ti)Se2 Structural Fragments

“…We have shown previously that the decrease in the Ti oxidation state results in a similar binding energy of the octahedrally and tetrahedrally coordinated ions being intercalated into the van der Waals gap. 55 This provides a lowering of the diffusion activation energy and, therefore, an increase in the diffusion mobility of the intercalated ions, which improves the performance of the V x Ti 1−x Se 2 electrodes in contrast to the TiSe 2 ones, where intercalated ions occupy only the octahedral sites, and the VSe 2 ones, where intercalated ions occupy only the tetrahedral sites in the van der Waals gap. 56…”

Emulating synaptic behavior in surface-functionalized MoS2through modulation of interfacial charge transferviaexternal stimuli

“…13 However, despite promising results, alloying on the cation/anion sublattice and atom intercalation may have detrimental effects on the electronic and mechanical properties of TMDs, resulting in degradation of their performance. 14,15 Particularly appealing is the possibility of tuning the electronic structure of TMDs by creating a heterostructure with conjugated organic molecules. Despite the simplicity of the heterostructure, its interface displays peculiar properties because of the low dimensionality of conjugated organic molecules and the emergence of an intrinsic electric field due to interfacial charge transfer driven by surface-molecule interactions.…”

“…13 However, despite promising results, alloying on the cation/anion sublattice and atom intercalation may have detrimental effects on the electronic and mechanical properties of TMDs, resulting in degradation of their performance. 14,15…”