Advances on Understanding Coke Gasification Process with CO 2 : A Report from Density Functional Theory

CO 2 gasification process on different active edges of a particular coke model surface has been explored computationally. It is observed that the adsorption through carbon and oxygen end of CO 2 (CO‐mode) through formation of four‐ and five‐membered ring on the active sites is the favoured one. Our...

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Veröffentlicht in:	ChemistrySelect (Weinheim) 2022-09, Vol.7 (36)
Hauptverfasser:	Debnath, Tanay, Sen, Kaushik, Suresh, A., Dash, Pratik Swarup, Das, Abhijit K
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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