High Thermopower in a Zn-Based 3D Semiconductive Metal–Organic Framework

Park, Jihye; Hinckley, Allison C.; Huang, Zhehao; Chen, Gan; Yakovenko, Andrey A.; Zou, Xiaodong; Bao, Zhenan

doi:10.1021/jacs.0c09573

Title: High Thermopower in a Zn-Based 3D Semiconductive Metal–Organic Framework

Journal Article · Mon Nov 23 00:00:00 EST 2020 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.0c09573· OSTI ID:1721770

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Stanford Univ., CA (United States)
Stockholm Univ. (Sweden). Berzelii Centre EXSELENT on Porous Materials
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Conductive metal–organic frameworks (c-MOFs) have drawn increasing attention for their outstanding performance in energy-related applications. However, the majority of reported c-MOFs are based on 2D structures. Synthetic strategies for 3D c-MOFs are under-explored, leaving unrealized functionality in both their structures and properties. Here in this paper we report a 3D c-MOF, namely Zn-HAB, designed through topological analysis. Comprising a nitrogen donor linker, hexaaminobenzene, and Zn(II) node, Zn-HAB was found to have microporosity with a band-gap of approximately 1.68 eV. The relatively large band-gap results in a modest conduc-tivity of 0.86 mS cm^-1 and a high Seebeck coefficient of 200 μV K^-1 at 300 K. The power factor of 3.44 nW m^-1 K^-2 constitutes the first report of the thermoelectric properties of an intrinsically conductive 3D MOF.

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Research Organization:: Stanford Univ., CA (United States); Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division; Swedish Research Council (SRC); Camille and Henry Dreyfus Foundation; National Science Foundation (NSF)

Grant/Contract Number:: SC0016523; AC02-06CH11357

OSTI ID:: 1721770

Alternate ID(s):: OSTI ID: 1840580

Journal Information:: Journal of the American Chemical Society, Vol. 142, Issue 49; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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CCDC 2046441: Experimental Crystal Structure Determination Jihye, Park,; C., Hinckley, Allison; Zhehao, Huang, https://doi.org/10.5517/ccdc.csd.cc26ph7n The current record is supplemented by this dataset	dataset	January 2020
CCDC 2046442: Experimental Crystal Structure Determination Jihye, Park,; C., Hinckley, Allison; Zhehao, Huang, https://doi.org/10.5517/ccdc.csd.cc26ph8p The current record is supplemented by this dataset	dataset	January 2020
CCDC 2046444: Experimental Crystal Structure Determination Jihye, Park,; C., Hinckley, Allison; Zhehao, Huang, https://doi.org/10.5517/ccdc.csd.cc26phbr The current record is supplemented by this dataset	dataset	January 2020
CCDC 2046445: Experimental Crystal Structure Determination Jihye, Park,; C., Hinckley, Allison; Zhehao, Huang, https://doi.org/10.5517/ccdc.csd.cc26phcs The current record is supplemented by this dataset	dataset	January 2020
CCDC 2046446: Experimental Crystal Structure Determination Jihye, Park,; C., Hinckley, Allison; Zhehao, Huang, https://doi.org/10.5517/ccdc.csd.cc26phdt The current record is supplemented by this dataset	dataset	January 2020
CCDC 2046447: Experimental Crystal Structure Determination Jihye, Park,; C., Hinckley, Allison; Zhehao, Huang, https://doi.org/10.5517/ccdc.csd.cc26phfv The current record is supplemented by this dataset	dataset	January 2020
CCDC 2046448: Experimental Crystal Structure Determination Jihye, Park,; C., Hinckley, Allison; Zhehao, Huang, https://doi.org/10.5517/ccdc.csd.cc26phgw The current record is supplemented by this dataset	dataset	January 2020

Title: High Thermopower in a Zn-Based 3D Semiconductive Metal–Organic Framework

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