Related Experiment Video
Updated: Jun 24, 2025
10:57
Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
Published on: April 10, 2018
18.2K
Metal-support spin orders: Crucial effect on electrocatalytic oxygen reduction
Yi-Jie Chen1, Jun Wen1, Zhi-Rui Luo1
1H-PSI Computational Chemistry Lab, Institute of Industrial Catalysis, State Key Laboratory Breeding Base of Green-Chemical Synthesis Technology, College of Chemical Engineering, Zhejiang University of Technology, Hangzhou 310032, People's Republic of China.
The Journal of Chemical Physics
|June 10, 2024
Summary
Magnetic support properties significantly impact heterogeneous catalysts. This study reveals how Ni loading on CrBr3 alters magnetic order, enhancing the oxygen reduction reaction (ORR) performance.
Area of Science:
- Materials Science
- Catalysis
- Surface Science
Background:
- The magnetic properties of catalyst supports are crucial for designing efficient heterogeneous catalysts.
- Understanding spin-order effects is key to optimizing catalytic activity.
Purpose of the Study:
- To investigate the influence of spin-order on the electrocatalytic oxygen reduction reaction (ORR) using Ni-supported CrBr3 (Nix/CrBr3).
- To explore the relationship between magnetic anisotropy and catalytic performance.
Main Methods:
- Spin-polarized density functional theory (DFT) calculations were employed.
- The study analyzed Ni loading effects on magnetic coupling, magnetic anisotropy, and ORR pathways.
Main Results:
- Ni loading induced anti-ferromagnetic (AFM) coupling in Ni-Cr, transitioning from ferromagnetic (FM) to ferrimagnetic (FIM) properties.
- Increased Ni loading altered magnetic anisotropy and influenced O2 adsorption, correlating with magnetic anisotropy rather than the d-band center.
- Applied potential and electrolyte acidity triggered spin-order transitions, shifting the ORR pathway from 4e- to 2e-.
Conclusions:
- Catalytic performance is strongly linked to magnetic anisotropy, offering a new design principle for magnetic supports.
- The Nix/CrBr3 system demonstrates excellent ORR onset potential (0.93 V vs. RHE), comparable to noble metal catalysts.
- Findings provide insights for designing advanced heterogeneous catalysts by manipulating support magnetic properties.
Related Concept Videos
03:11Oxidation-Reduction Reactions
64.8K
Oxidation–Reduction Reactions
64.8K
01:30Ladder Diagrams: Redox Equilibria
449
Ladder diagrams are useful tools for understanding redox equilibrium reactions, especially the effects of concentration changes on the electrochemical potential of the reaction. The vertical axis in the redox ladder diagrams represents the electrochemical potential, E. The area of predominance is demarcated using the Nernst equation.
Consider the Fe3+/Fe2+ half-reaction, which has a standard-state potential of +0.771 V. At potentials more positive than +0.771 V, Fe3+ predominates, whereas Fe2+...
Consider the Fe3+/Fe2+ half-reaction, which has a standard-state potential of +0.771 V. At potentials more positive than +0.771 V, Fe3+ predominates, whereas Fe2+...
449
01:23Redox Equilibria: Overview
561
A reduction-oxidation reaction is commonly called a redox reaction. In a redox reaction, electrons are transferred from one species to another rather than being shared between or among atoms. The reducing agent or reductant is the species that loses electrons and gets oxidized in the process. The species that gains electrons and gets reduced in the process is the oxidizing agent or oxidant. Redox reactions are represented as two separate equations called half-reactions, where one equation...
561
03:02Colors and Magnetism
11.6K
Color in Coordination Complexes
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
11.6K
01:08Electrodeposition
625
Electrodeposition is a technique used to separate an analyte from interferents by electrochemical processes. Here, the analyte is a metal ion that can be deposited on an electrode immersed in the sample solution. The electrochemical setup consists of an anode and a cathode. When an electric current is applied to the setup, oxidation occurs at the anode. At the cathode, which consists of a large metal surface, metal ions undergo reduction and deposit onto the surface.
Electrodeposition can...
Electrodeposition can...
625
02:42Valence Bond Theory
8.5K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
8.5K