Exploring Spin Distribution and Electronic Properties in FeN<sub>4</sub>-Graphene Catalysts with Edge Terminations

Exploring Spin Distribution and Electronic Properties in FeN<sub>4</sub>-Graphene Catalysts with Edge Terminations

Understanding the spin distribution in FeN<sub>4</sub>-doped graphene nanoribbons with zigzag and armchair terminations is crucial for tuning the electronic properties of graphene-supported non-platinum catalysts. Since the spin-polarized carbon and iron electronic states may act togethe...

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Bibliographic Details
Main Authors: Ismail Can Oguz, Frederic Jaouen, Tzonka Mineva
Format: Article
Language:English
Published: MDPI AG 2024-01-01
Series:Molecules
Subjects:
FeN<sub>4</sub>-C catalysts
spin
band structure
zigzag graphene nanoribbons
armchair graphene nanoribbons
DFT
Online Access:https://www.mdpi.com/1420-3049/29/2/479

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