Journal Article

FZJ-2019-06515

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Cu Intercalation and Br Doping to Thermoelectric SnSe 2 Lead to Ultrahigh Electron Mobility and Temperature‐Independent Power Factor

Zhou, C. ; Yu, Y. ; Zhang, X. ; Cheng, Y. ; Xu, J. ; Lee, Y. K. ; Yoo, B. ; Cojocaru‐Mirédin, O. ; Liu, G. ; Cho, S. ; Wuttig, M.FZJ* ; Hyeon, T. ; Chung, I. (Corresponding author)

2020
Wiley-VCH Weinheim

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Please use a persistent id in citations: doi:10.1002/adfm.201908405

Abstract: Due to its single conduction band nature, it is highly challenging to enhance the power factor of SnSe2 by band convergence. Here, it is reported that simultaneous Cu intercalation and Br doping induce strong Cu–Br interaction to connect SnSe2 layers, otherwise isolated, via “electrical bridges.” Atom probe tomography analysis confirms a strong attraction between Cu intercalants and Br dopants in the SnSe2 lattice. Density functional theory calculations reveal that this interaction delocalizes electrons confined around SnSe covalent bonds and enhances charge transfer across the SnSe2 slabs. These effects dramatically increase electron mobility and concentration. Polycrystalline SnCu0.005Se1.98Br0.02 shows even higher electron mobility than pristine SnSe2 single crystal and the theoretical expectation. This results in significantly improved electrical conductivity without reducing effective mass and Seebeck coefficient, thereby leading to the highest power factor of ≈12 µW cm−1 K−2 to date for polycrystalline SnSe2 and SnSe. It even surpasses the value for the state‐of‐the‐art n‐type SnSe0.985Br0.015 single crystal at elevated temperatures. Surprisingly, the achieved power factor is nearly independent of temperature ranging from 300 to 773 K. The engineering thermoelectric figure of merit ZTeng for SnCu0.005Se1.98Br0.02 is ≈0.25 between 773 and 300 K, the highest ZTeng ever reported for any form of SnSe2‐based thermoelectric materials.

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Contributing Institute(s):

1. JARA Institut Green IT (PGI-10)

Research Program(s):

1. 5233 - Memristive Materials and Devices (POF4-523) (POF4-523)

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Database coverage:
; Clarivate Analytics Master Journal List ; Current Contents - Engineering, Computing and Technology ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF >= 10 ; JCR ; NCBI Molecular Biology Database ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Web of Science Core Collection

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