Electronic Structures of the Vanadium-Intercalated and Substitutionally Doped Transition-Metal Dichalcogenides Ti_xV_ySe₂

Abstract

The electronic structures of V-intercalated TiSe2 and substitutionally doped dichalcogenides Ti1–x V x Se2 have been studied using soft X-ray photoelectron, resonant photoelectron, and absorption spectroscopies. In the case of the substitution of Ti by V, the formation of coherently oriented structural fragments VSe2 and TiSe2 is observed and a small charge transfer between these fragments is found. Intercalation of the V atoms into TiSe2 leads to charge transfer from the V atoms to the Ti atoms with the formation of covalent complexes Ti–Se3–V–Se3–Ti.

Janus Layers in the TiSe2–TiS2 System

“…CIS (constant initial state) spectra obtained from VB spectra are shown in Figure S4. These spectra are in good agreement with Ti L 2.3 XAS and correspond to the uniform spatial distribution of the chemical bonds between the Ti atoms and nearest surrounding atoms …”

“…These spectra are in good agreement with Ti L 2.3 XAS and correspond to the uniform spatial distribution of the chemical bonds between the Ti atoms and nearest surrounding atoms. 38 Previously, we observed the presence of S 3d states at the Fermi level for Cu 0.03 TiSe 1.9 S 0.1 and Cu 0.09 TiSe 1.7 S 0.3 . 24 Because of that, we obtained the valence band spectra at the S 2p−3d resonant excitation (Figure S5).…”

Electronic and crystal structure of bi-intercalated titanium diselenide CuxNiyTiSe2

“…One can see that CIS are almost identical to the lineshape of Indeed, it is known that the Ti 3d z 2 orbitals hybridize with the nearest neighbors. 34 Since the Ti 3d z 2 orbital is directed at the octahedral site, it hybridizes with the orbitals of an atom, which is located there. However, the intensity of the resonance peak is nearly the same for all studied compounds (Fig.…”

Method to Determine the Distribution of Substituted or Intercalated Ions in Transition-Metal Dichalcogenides: FexVSe2 and Fe1–xVxSe2

“…However, this assumption may not be valid in systems where the guest species is similar in size and/or valence to the metal or chalcogen because intercalation and substitution can occur . For example, when incorporating Fe into 1T-TaS 2 , the octahedral coordination of Ta allows for substitution of Fe onto Ta sites and an unpredictable mix of both Ta and Fe intercalating into the van der Waals gap. − With V as a guest species in TiSe 2 , substitution of V into the lattice is more stable than intercalation; therefore, Ti atoms are more likely to intercalate . Characterization of the composition and structure of the final products is necessary to determine the extent of substitution and/or intercalation.…”