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New Preprint available!

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. 

CMP welcomes Dr. Anup Shrivastava to the team!

Welcome, Dr. Anup Shrivastava! (courtesy of Hasan, Md Mehedi)

On May 1, 2024, after two years of being a visiting researcher at CMP, Dr. Anup Shrivastava joined the team in Kassel as a full-time senior researcher (PostDoc). 

Dr. Shrivastava's research interests include the modeling of nanoelectronic and nanophotonic materials and devices. With a doctorate from the Department of Electronic and Communication Engineering at the Indian Institute of Information Technology, Allahabad, India, he specialized in multi-scale materials and device modeling, employing quantum-to-classical modeling approaches, like density functional theory, molecular dynamics, semi-classical Boltzmann transport, and drift-diffusion.

Alongside supporting the CMP team in research questions and strategy, Dr. Shrivastava will engage in the Section's teaching activities, starting with Semiconductor Devices - Theory and Modeling in the Summer Semester 2024. 

 A warm welcome to Dr. Shrivastava! 

Kamal Kumar wins the ACS Best Poster Presentation Award!

Kamal Kumar's presentation "Cu-decorated ψ-graphene, ψ-graphone and ψ-graphane materials for CO2 activation: DFT(D)+U Study” won the ACS BEST POSTER PRESENTATION AWARD at the 2nd International Conference on Advances in Nanomaterials and Devices for Energy and Environment (CANDEE-23) organized by ITM Gwalior, M.P. (India).

Many congratulations, Kamal! 

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