Oxygen Reduction Reaction Mechanism on the Square Paddle-Wheel Cage Site of TM-BTC (TM=Mn, Fe, Cu) Metal Organic Framework

Oxygen Reduction Reaction Mechanism on the Square Paddle-Wheel Cage Site of TM-BTC (TM=Mn, Fe, Cu) Metal Organic Framework

We study the oxygen reduction reaction (ORR) mechanism on the square paddle-wheel cage active site of TM-BTC (TM= Mn, Fe, Cu) metal organic framework by using a combination of DFT and microkinetic calculations. By using a small cluster for modeling the TM-BTC active site structure, we have successf...

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Bibliographic Details
Main Authors: Ahmad Nuruddin, Adhitya Gandaryus Saputro, Syauqi Abdurrahman Abrori, Arifin Luthfi Maulana, Virgiawan Listanto Rahagung, Mohammad Kemal Agusta, Fadjar Fathurrahman, Amrina Mustaqim, Hermawan Kresno Dipojono
Format: Article
Language:English
Published: ITB Journal Publisher 2022-12-01
Series:Journal of Mathematical and Fundamental Sciences
Subjects:
Oxygen reduction reaction
MOF
TM-BTC
density functional theory
microkinetic
Online Access:https://journals.itb.ac.id/index.php/jmfs/article/view/17574

Internet

https://journals.itb.ac.id/index.php/jmfs/article/view/17574

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