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physics.app-ph2024
First Principles Investigation of Gas Adsorption on Bilayer Transition Metal Dichalcogenides for Sensing Toxic Gases
Jemal Yimer Damte, Hassan Ataalite
Transition metal dichalcogenides have shown great promise in the field of gas sensing due to their high catalytic activity and unique electronic properties. They can effectively in…
physics.app-ph2024
Formation of C1 oxygenates by Activation of Methane on B, N Co-doped Graphene Surface Decorated by Oxygen Pre-covered Ir13 Cluster: A First Principles Study
Jemal Yimer Damte, Jiri Houska
We employ density functional theory (DFT) to investigate the adsorption and dehydrogenation of methane on the BNG-Ir13 cluster at both low and high oxygen coverage. The DFT calcula…
cond-mat.mtrl-sci2024
Tribo-piezoelectric Nanogenerators for Energy Harvesting: a first-principles study
Jemal Yimer Damte, Jiri Houskaa
Two-dimensional transition metal dichalcogenides (TMDs) are highly promising candidates for various applications due to their unique electrical, optical, mechanical, and chemical p…