Year: 2026
Type: article
Abstract: Atomic-scale thickness control is highly desirable for next-generation thermoelectric applications. SnSe has attracted significant attention for its excellent thermoelectric performance. SnSe is a layered monochalcogenide that can be exfoliated into ultrathin two-dimensional structures. We evaluate the thermoelectric properties of few-layer and bulk SnSe using density functional theory, the Landauer formalism, and McGaughey’s analytical model. By systematically investigating the thermoelectric figure of merit 𝑍 𝑇 of SnSe as a function of system thickness, we find that the 𝑛 -type monolayer shows the highest 𝑍 𝑇 along the zig-zag direction. This enhancement is attributed to the absence of interlayer electronic coupling and enlarged band gap, which increases the power factor, along with increased phonon–boundary scattering that lowers thermal conductivity. We further suggest that layer-thickness engineering provides a route to control 𝑍 𝑇 by modulating interlayer electronic coupling, band gap, and phonon–boundary-scattering effects.
Source: Materials Today Advances
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $3,790
Awards: G1403801870, Creation of nanostructural computational science for next-generation energy materials, G1904902450, G2304261978, First-principles design of spin conversion materials by nanostructure prediction, Development of fast Berry phase calculation methods for electronic structure calculations and its application to energy conversion materials, G4994300161, G5218621508, G5632481652, 非相対論的スピン軌道結合が拓く有機・無機強相関系の新規交差応答の研究, G8969892760, G965230690
OpenAlex ID: W7211881240