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Journal ArticleDOI

Co-Cu Bimetallic Metal Organic Framework Catalyst Outperforms the Pt/C Benchmark for Oxygen Reduction.

TLDR
In this paper, a nonprecious Co-Cu bimetallic metal-organic framework (MOF) was designed using a low-temperature hydrothermal method that outperforms the electrocatalytic activity of Pt/C for ORR in alkaline environments.
Abstract
Platinum (Pt)-based-nanomaterials are currently the most successful catalysts for the oxygen reduction reaction (ORR) in electrochemical energy conversion devices such as fuel cells and metal-air batteries. Nonetheless, Pt catalysts have serious drawbacks, including low abundance in nature, sluggish kinetics, and very high costs, which limit their practical applications. Herein, we report the first rationally designed nonprecious Co-Cu bimetallic metal-organic framework (MOF) using a low-temperature hydrothermal method that outperforms the electrocatalytic activity of Pt/C for ORR in alkaline environments. The MOF catalyst surpassed the ORR performance of Pt/C, exhibiting an onset potential of 1.06 V vs RHE, a half-wave potential of 0.95 V vs RHE, and a higher electrochemical stability (ΔE1/2 = 30 mV) after 1000 ORR cycles in 0.1 M NaOH. Additionally, it outperformed Pt/C in terms of power density and cyclability in zinc-air batteries. This outstanding behavior was attributed to the unique electronic synergy of the Co-Cu bimetallic centers in the MOF network, which was revealed by XPS and PDOS.

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Citations
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Journal ArticleDOI

Highly Durable Compositionally Variant Bifunctional Tetrametallic Ni–Co–Mn–Fe Phosphide Electrocatalysts Synthesized by a Facile Electrodeposition Method for High-Performance Overall Water Splitting

TL;DR: In this paper , nanosheets of different earth-abundant Ni, Co, Mn, and Fe combinations are electrodeposited over commercial Ti mesh and tested for the overall water splitting.
Journal ArticleDOI

Ultrafast transformation of metal-organic frameworks into advanced oxygen evolution electrocatalysts with good universality and scalability

TL;DR: In this paper , an ultrafast room-temperature method is proposed to accelerate the oxygen evolution reaction (OER) by using electrocatalysts to accelerate its sluggish kinetics.
Journal ArticleDOI

C76 Nanospheres/Ni Foam as High-Performance Heterostructured Electrocatalysts for Hydrogen Evolution Reaction: Unveiling the Interfacial Interaction

TL;DR: In this article , the electronic structures of different fullerenes (C60, C70, C76, C84, and C100) were investigated using density functional theory (DFT) calculations to identify the most suitable candidate as a hydrogen evolution reaction (HER) catalyst.
Journal ArticleDOI

Ni nanodendrites prepared by a low-temperature process as electrocatalysts for hydrogen evolution reaction in alkaline solution

TL;DR: In this paper, a template-free and environmentally-friendly method was proposed to fabricate the Ni nanodendrites (Ni NDs) manifesting the excellent HER catalytic performances.
Journal ArticleDOI

Revealing the structure-activity relationship in woven covalent organic frameworks for the electrocatalytic oxygen reduction reaction.

TL;DR: In this paper , a typical woven covalent organic framework (COF) is utilized as an ORR catalyst to reveal the role of the metal center and linkage, and a linkage conversion strategy reveals the importance of the imine linkage on the 4e-ORR.
References
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Journal ArticleDOI

From molecules to solids with the DMol3 approach

TL;DR: In this paper, the DMol3 local orbital density functional method for band structure calculations of insulating and metallic solids is described and the method for calculating semilocal pseudopotential matrix elements and basis functions are detailed together with other unpublished parts of the methodology pertaining to gradient functionals and local orbital basis sets.
Journal ArticleDOI

Co3O4 nanocrystals on graphene as a synergistic catalyst for oxygen reduction reaction

TL;DR: The Co₃O₄/N-doped graphene hybrid exhibits similar catalytic activity but superior stability to Pt in alkaline solutions, making it a high-performance non-precious metal-based bi-catalyst for both ORR and OER.
Journal ArticleDOI

Modular chemistry: secondary building units as a basis for the design of highly porous and robust metal-organic carboxylate frameworks.

TL;DR: Consideration of the geometric and chemical attributes of the SBUs and linkers leads to prediction of the framework topology, and in turn to the design and synthesis of a new class of porous materials with robust structures and high porosity.
Journal ArticleDOI

A perovskite oxide optimized for oxygen evolution catalysis from molecular orbital principles.

TL;DR: The high activity of BSCF was predicted from a design principle established by systematic examination of more than 10 transition metal oxides, which showed that the intrinsic OER activity exhibits a volcano-shaped dependence on the occupancy of the 3d electron with an eg symmetry of surface transition metal cations in an oxide.
Journal ArticleDOI

Secondary building units, nets and bonding in the chemistry of metal–organic frameworks

TL;DR: The geometries of 131 SBUs, their connectivity and composition of transition-metal carboxylate clusters which may serve as secondary building units (SBUs) towards construction and synthesis of metal-organic frameworks (MOFs).
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