Water dissociation and COOH formation on Fe modified Cu(100) surface: A density functional theory study

Water splitting has emerged as a promising route for sustainable hydrogen production. In this research paper, adsorption and dissociation of H2O accompanied with dissociated constituents reactions with CO2 and CO have been investigated on Fe modified Cu(100) surface employing density functional theo...

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Veröffentlicht in:	Journal of molecular graphics & modelling 2024-11, Vol.132, p.108829, Article 108829
Hauptverfasser:	Hussain, Akhtar, Javaid, Saqib
Format:	Artikel
Sprache:	eng
Schlagworte:	Activation energy Adsorption energy CO2 reduction COOH formation DFT FeCu surface Water splitting
Online-Zugang:	Volltext
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