Related Experiment Video
Updated: Apr 18, 2026

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
Published on: April 10, 2018
Nitrogen coordination-regulated electronic structure of V-based single-atom M-N-C for efficient sodium storage
Weiyuan Wen1, Huiyang Fan1, Yucheng Chen1
1State Key Laboratory of Clean Energy Utilization, College of Energy Engineering, Zhejiang University, Hangzhou, Zhejiang 310027, China. bozh@zju.edu.cn.
Researchers optimized vanadium single-atom catalysts on nitrogen-doped graphene for sodium-ion capacitors. The V-N4pyridine configuration shows excellent stability and performance for next-generation energy storage anodes.
Area of Science:
- Materials Science
- Electrochemistry
- Computational Chemistry
Background:
- Sodium-ion capacitors (SICs) are promising energy storage devices.
- High-performance anode materials are crucial for SIC development.
- Metal-nitrogen-doped carbon single-atom materials (M-N-C SAMs) offer potential solutions.
Purpose of the Study:
- To investigate the sodium storage performance of vanadium (V)-based single atoms on nitrogen-doped graphene (V-N4-G).
- To explore the impact of different nitrogen coordination configurations on V-N4-G.
- To identify optimal configurations for high-performance SIC anodes.
Main Methods:
- Density functional theory (DFT) calculations were used.
- Thermodynamic stability was analyzed via formation energies.
- Electronic properties, Na adsorption/diffusion, and quantum capacitance (CQ) were evaluated.
Main Results:
- Three configurations (V-N4pyd-G, V-N1pyr-N3pyd-G, V-N2pyr-N2pyd-G(H)) showed thermodynamic stability.
- The V-N4pyd-G configuration exhibited optimal performance.
- This configuration has a moderate Na binding energy (-2.27 eV), low diffusion barrier (0.84 eV), and high CQ (78 µF cm-2).
Conclusions:
- Coordination engineering critically influences the sodium storage performance of SAMs.
- The V-N4pyd-G configuration is a promising candidate for SIC anodes.
- This study provides theoretical insights for designing advanced energy storage materials.
More Related Videos
08:40Synthesis of Metal Nanoparticles Supported on Carbon Nanotube with Doped Co and N Atoms and its Catalytic Applications in Hydrogen Production
Published on: December 6, 2021
08:13Chemical Precipitation Method for the Synthesis of Nb2O5 Modified Bulk Nickel Catalysts with High Specific Surface Area
Published on: February 19, 2018
Related Concept Videos
Coordination Compounds and Nomenclature
Valence Bond Theory
Metal-Ligand Bonds
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
Coordination Number and Geometry
Structural Isomerism
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly,...
Structure of Amines