The mechanism of the formation of one-dimensional chains of the iron and vanadium atoms in the TiSe2 interlayer space

Electronic Structures of the Vanadium-Intercalated and Substitutionally Doped Transition-Metal Dichalcogenides TixVySe2

“…However, the synthesis procedure of such materials does not lead to mixing of the Ti and V atoms in the sublattices; the intercalated V atoms are located only in the interlayer space and do not substitute the Ti atoms in the host lattice. 5,6,30 The XPS, XAS and ResPES spectra of Ti x V y Se 2 were obtained at room temperature (RT) on the BACH beamline 31 of the Elettra synchrotron facility (Trieste, Italy). All of the samples were cleaved at RT in a vacuum chamber at a pressure better than 1 × 10 −9 Torr.…”

“…The V atoms occupy the octahedral positions of the interlayer space. 6 Therefore, the V atoms are coordinated by chalcogen, similarly to the Ti atoms, which can be substituted by V. The fundamental difference is in the composition of the second coordination sphere. For intercalated V atoms, the neighbors in the second coordination sphere along the c axis are Ti atoms, while in the case of substitution, the second coordination sphere of V along the c axis contains vacant positions (due to the van der Waals gap).…”

Electronic and crystal structure of bi-intercalated titanium diselenide CuxNiyTiSe2

“…11) are not observed upon Ti 2p-3d and Ni 2p-3d resonance excitation, although the intensity of this peak changes noticeably. Based on the results of density of states (DOS) calculations for M x TiCh 2 (M = 3d transition metal, Ch = S, Se, Te), 19,25,26,28,36 it can be assumed that the band corresponding to the T peak is formed mainly by the Se states hybridized with the Ti and Ni states. The R peak is clearly visible (Fig.…”

Band Gap Width Control by Cu Intercalation Into ZrSe2

“…The core level spectra are sensitive to the appearance of additional phases 48 or nonequivalent crystallographic positions. 18,49 Figure 2 (upper panel) shows the spectra of the Se 3d and Zr 3p, 3d for Cu x ZrSe 2 . It is seen that the binding energy values of these levels increase equally as the concentration of intercalated copper atoms increases (Figure 2, lower panel).…”

“…As a result, the electronic structure and physical properties of the starting material change in a wide range. The limited space available for intercalation allows generating nanodimensional inclusions, arrange intercalated atoms, or create quasi-one-dimensional chains. − Intercalation compounds based on MCh 2 exhibit a number of intriguing properties, for example, superconductivity and thermoelectricity. − In addition, the practical use of these materials as solar cells , and in electronic devices ,− is also supposed.…”