Abstract
Due to the tailorable and porous structures, metal-organic frameworks (MOFs) have been widely studied as electrocatalysts for various reactions. However, MOFs based bifunctional catalyst has been rarely explored. In this work, we reported the design of a bifunctional MOF catalyst, namely, two-dimensional MOFs (H2NMe2)2M2 (Cl2dhbq)3) (M = transition metals, Cl2dhbqn− = deprotonated 2,5-dichloro-3,6-dihydroxybenzoquinone), with high activity for Oxygen Evolution/Reduction Reaction (OER/ORR). The calculated overpotentials for OER and ORR are 0.41 and 0.46 V, respectively. Moreover, the catalytic activity is found to be governed by the interaction strength between transition metal (TM) and adsorbed species, which can be well modulated by the adjustment of d-electron occupation of TM. The ideal energy level of d band centre for OER and ORR are found to be 0.84 eV and 0.20 eV, respectively. Our findings offer cost-effective opportunities for advancing clean energy technology.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
