DataVXAdvanced MaterialsPaper
journal article·2023-06

Molecular Engineering of Metal–Organic Frameworks as Efficient Electrochemical Catalysts for Water Oxidation

Yizhe Liu, Xintong Li, Shoufeng Zhang, Zilong Wang, Qi Wang, Yonghe He, Wei‐Hsiang Huang, Qidi Sun, Xiaoyan Zhong, Jue Hu, Xuyun Guo, Qing Lin, Zhuo Li, Ye Zhu, Chu‐Chen Chueh, Chi‐Liang Chen, Zhengtao Xu, Zonglong Zhu

Advanced Materials· Volume 35· Issue 22
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Source abstract

Abstract

Abstract Metal–organic framework (MOF) solids with their variable functionalities are relevant for energy conversion technologies. However, the development of electroactive and stable MOFs for electrocatalysis still faces challenges. Here, a molecularly engineered MOF system featuring a 2D coordination network based on mercaptan–metal links (e.g., nickel, as for Ni(DMBD)‐MOF) is designed. The crystal structure is solved from microcrystals by a continuous‐rotation electron diffraction (cRED) technique. Computational results indicate a metallic electronic structure of Ni(DMBD)‐MOF due to the Ni–S coordination, highlighting the effective design of the thiol ligand for enhancing electroconductivity. Additionally, both experimental and theoretical studies indicate that (DMBD)‐MOF offers advantages in the electrocatalytic oxygen evolution reaction (OER) over non‐thiol (e.g., 1,4‐benzene dicarboxylic acid) analog (BDC)‐MOF, because it poses fewer energy barriers during the rate‐limiting *O intermediate formation step. Iron‐substituted NiFe(DMBD)‐MOF achieves a current density of 100 mA cm−2 at a small overpotential of 280 mV, indicating a new MOF platform for efficient OER catalysis.
Source: crossref · Quality: baseline

Research context

Catalysis & surfaces

OpenAlex topics: Electrocatalysts for Energy Conversion · Advanced battery technologies research · Metal-Organic Frameworks: Synthesis and Applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Chemistry City University of Hong Kong Kowloon 999077 Hong Kong

Siyuan Laboratory Guangdong Provincial Engineering Technology Research Center of Vacuum Coating Technologies and New Energy Materials Department of Physics Jinan University Guangzhou Guangdong 510632 P. R. China

Department of Materials Science and Engineering City University of Hong Kong Kowloon 999077 Hong Kong

Graduate Institute of Applied Science and Technology National Taiwan University of Science and Technology (NTUST) Taipei 10607 Taiwan

National Synchrotron Radiation Research Center Hsinchu 30076 Taiwan

Faculty of Science Kunming University of Science and Technology Kunming 650093 China

Department of Applied Physics The Hong Kong Polytechnic University Hung Hom 999077 Hong Kong

ReadCrystal Biotech Co., Ltd. Suzhou Jiangsu Province 215505 P. R. China

Department of Chemical Engineering National Taiwan University Taipei 10617 Taiwan

Institute of Materials Research and Engineering (IMRE) Agency of Science Technology and Research (A*STAR) 2 Fusionopolis Way Singapore 138634 Singapore

Funding

Innovation and Technology Fund · Natural Science Foundation of Guangdong Province

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