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New preprint: CO2 activation over pristine and Cu-decorated carbon-based two-dimensional materials
In this study, driven by Kamal Kumar and Dr. Abhishek Mishra, we have employed density functional theory-based calculations to investigate CO2 activation over the pristine and Cu-decorated carbon-based two-dimensional material ψ-graphene and its hydrogenated forms, i.e., ψ-graphone (half hydrogenated) and ψ-graphane (fully hydrogenated). ψ-graphene is a metallic allotrope of graphene containing 5-6-7 membered carbon rings.
Our comprehensive study elucidates the intricate interplay between material characteristics and CO2 adsorption behavior. It may open new material design avenues for efficient carbon activation and conversion.
News
New preprint: CO2 activation over pristine and Cu-decorated carbon-based two-dimensional materials
In this study, driven by Kamal Kumar and Dr. Abhishek Mishra, we have employed density functional theory-based calculations to investigate CO2 activation over the pristine and Cu-decorated carbon-based two-dimensional material ψ-graphene and its hydrogenated forms, i.e., ψ-graphone (half hydrogenated) and ψ-graphane (fully hydrogenated). ψ-graphene is a metallic allotrope of graphene containing 5-6-7 membered carbon rings.
Our comprehensive study elucidates the intricate interplay between material characteristics and CO2 adsorption behavior. It may open new material design avenues for efficient carbon activation and conversion.
Dates
New preprint: CO2 activation over pristine and Cu-decorated carbon-based two-dimensional materials
In this study, driven by Kamal Kumar and Dr. Abhishek Mishra, we have employed density functional theory-based calculations to investigate CO2 activation over the pristine and Cu-decorated carbon-based two-dimensional material ψ-graphene and its hydrogenated forms, i.e., ψ-graphone (half hydrogenated) and ψ-graphane (fully hydrogenated). ψ-graphene is a metallic allotrope of graphene containing 5-6-7 membered carbon rings.
Our comprehensive study elucidates the intricate interplay between material characteristics and CO2 adsorption behavior. It may open new material design avenues for efficient carbon activation and conversion.