The role of overlayered nitride electro-materials for N2 reduction to ammonia

The role of overlayered nitride electro-materials for N2 reduction to ammonia

Following our previous report on N2 reduction reaction (NRR) on the surface of nitrides, we investigated the influence of incorporation of titanium nitride as a stable and inactive-NRR material into the structure of DFT-predicted NRR-active surfaces of chromium, vanadium, niobium, and zirconium nitr...

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Bibliographic Details
Main Authors: Younes Abghoui, Atef Iqbal, Egill Skúlason
Format: Article
Language:English
Published: Frontiers Media S.A. 2023-02-01
Series:Frontiers in Catalysis
Subjects:
DFT calculations
electrochemical ammonia production
transition metal nitride overlayers
ambient conditions
N2 reduction
Online Access:https://www.frontiersin.org/articles/10.3389/fctls.2022.1096824/full

Internet

https://www.frontiersin.org/articles/10.3389/fctls.2022.1096824/full

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