Two-Dimensional Conductive Ni-HAB as a Catalyst for the Electrochemical Oxygen Reduction Reaction

Park, Jihye; Chen, Zhihua; Flores, Raul A.; Wallnerström, Gustaf; Kulkarni, Ambarish; Nørskov, Jens K.; Jaramillo, Thomas F.; Bao, Zhenan

doi:10.1021/acsami.0c09323

Two-Dimensional Conductive Ni-HAB as a Catalyst for the Electrochemical Oxygen Reduction Reaction

Journal Article · Tue Aug 04 00:00:00 EDT 2020 · ACS Applied Materials and Interfaces

DOI:https://doi.org/10.1021/acsami.0c09323· OSTI ID:1801855

^[1]; Chen, Zhihua ^[2]; ^[2]; Wallnerström, Gustaf ^[3]; Kulkarni, Ambarish ^[4]; Nørskov, Jens K. ^[5]; ^[2]; ^[6]

Stanford Univ., CA (United States); OSTI
Stanford Univ., CA (United States). SUNCAT Center for Interface Science and Catalysis
KTH Royal Inst. of Technology, Stockholm (Sweden); Stanford Univ., CA (United States)
Department of Chemical Engineering, University of California Davis, 1 Shields Avenue, Davis, California 95616, United States
Stanford Univ., CA (United States). SUNCAT Center for Interface Science and Catalysis; Technical Univ. of Denmark, Lyngby (Denmark)
Stanford Univ., CA (United States)

Catalytic systems whose properties can be systematically tuned via changes in synthesis conditions are highly desirable for the next-generation catalyst design and optimization. Herein, we present a two-dimensional (2D) conductive metal–organic framework consisting of M-N₄ units (M = Ni, Cu) and a hexaaminobenzene (HAB) linker as a catalyst for the oxygen reduction reaction. By varying synthetic conditions, we prepared two Ni-HAB catalysts with different crystallinities, resulting in catalytic systems with different electric conductivities, electrochemical activity, and stability. We show that crystallinity has a positive impact on conductivity and demonstrate that this improved crystallinity/conductivity improves the catalytic performance of our model system. Additionally, density functional theory simulations were performed to probe the origin of M-HAB’s catalytic activity, and they suggest that M-HAB’s organic linker acts as the active site with the role of the metal being to modulate the linker sites’ binding strength.

View Accepted Manuscript (DOE)

Research Organization:: Stanford Univ., CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: SC0008685

OSTI ID:: 1801855

Journal Information:: ACS Applied Materials and Interfaces, Journal Name: ACS Applied Materials and Interfaces Journal Issue: 35 Vol. 12; ISSN 1944-8244

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
active sites
catalysts
density functional theory
electrical conductivity
electrocatalysis
materials science
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metal−organic frameworks
oxygen reduction reactions
redox reactions
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Two-Dimensional Conductive Ni-HAB as a Catalyst for the Electrochemical Oxygen Reduction Reaction

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