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Layered Alkali-Copper selenides: Deciphering thermoelectric properties and reaction pathways for nanostructuring β-CsCu5Se3
Date
2025-12-01
Abstract
Copper chalcogenides offer high charge mobility and low lattice thermal conductivity but suffer from structural instability due to dynamic Cu+ migration. Here, we report a colloidal hot-injection synthesis of ternary cesium copper selenide (CsCu5Se3) nanocrystals (NCs), achieving precise control over phase, size, and morphology through tailored precursor-ligand modulation. This strategy enabled systematic exploration of stable and metastable Cs−Cu−Se phases and mechanistic investigation of nucleation and growth, providing insight into phase modulation and dimensional control at the nanoscale. CsCu5Se3 NCs exhibit low lattice thermal conductivity (∼0.5 Wm1−K−1) and an experimental zT of 0.27 at 718 K. Complementary first-principles calculations, consistent with experimental electronic and optical responses, predict a zT of 1.05 at 1000 K. These findings elucidate the formation dynamics of CsCu5Se3 and establish ABZ (A = alkali, B = metal, Z = chalcogen) NCs as tunable platforms for advanced functional applications.
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This document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Energy letters, copyright © 2025 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acsenergylett.5c02909.
Publisher
American Chemical Society
Citation
ACS Energy Letters
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Singh_2025_Layered.pdf
Adobe PDF, 6.16 MB
- Embargoed until 2026-12-01
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Adobe PDF, 3.08 MB
- Embargoed until 2026-12-01
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Sustainable Development Goals
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Attribution-NonCommercial-ShareAlike 4.0 International