Abstract
Authors report an effect of F substitution on layered SnSe2 through the successful synthesis of polycrystalline SnSe2−δFx (0.000 ≤ x ≤ 0.010) by solid-state reaction. Accompanied with density functional theory calculations, the blue shift of A1g peak in Raman spectra reveal that F− ions are substituted at Se vacancy sites as decreasing the reduced mass of vibrational mode associated with Sn–Se bonding. From the measurements of electrical parameters, conductivity as well as carrier concentration are governed by thermally activated behavior, while such behavior is suppressed in Hall mobility, which occurs as F ratio increases. Based on Arrhenius relation, it is found that the potential barrier height at the grain boundary is suppressed with increasing F amount, suggesting that the F− ion is a promising candidate for the grain boundary passivation in the two-dimensional dichalcogenide system.
Highlights
Two-dimensional (2D) transition metal dichalcogenides (TMDs) have recently attracted much attention from researchers due to its novel electronic and/or optical properties[1,2,3,4,5]
Density functional theory (DFT) calculations well support that the substitution of F in the form of F− is more stable than the formation of a selenium vacancy at the Se site in SnSe2
Polycrystalline SnSe2−δFx with various nominal F contents are synthesized by solid-state reaction
Summary
Two-dimensional (2D) transition metal dichalcogenides (TMDs) have recently attracted much attention from researchers due to its novel electronic and/or optical properties[1,2,3,4,5]. Most of the studies have mainly been conducted on limited transition metal cation-based composition (Mo, W, and Re, etc.), there are many other groups of layered dichalcogenides containing weak van der Waals bonding between layer units[1,2,3,4,5]. Among such layered materials, SnSe2, post-transition metal dichalcogenide (PTMD), is regarded as a promising electronic material[6,7,8,9,10,11,12,13]. Inset shows the x dependent full-width at half-maximum (FWHM)
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