Activation of CO<sub>2</sub> on the Surfaces of Bare, Ti-Adsorbed and Ti-Doped C<sub>60</sub>

Activation of CO<sub>2</sub> on the Surfaces of Bare, Ti-Adsorbed and Ti-Doped C<sub>60</sub>

There is a growing interest in finding a suitable catalyst for the adsorption and activation of CO<sub>2</sub> molecules to minimize the effect of global warming. In this study, density functional theory-based simulations are employed to examine the adsorption and activation of a CO<s...

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Bibliographic Details
Main Author:	Navaratnarajah Kuganathan
Format:	Article
Language:	English
Published:	MDPI AG 2022-03-01
Series:	Fuels
Subjects:	activation DFT doping C<sub>60</sub> adsorption charge transfer
Online Access:	https://www.mdpi.com/2673-3994/3/1/11

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