Search Results - "Damte, Jemal Yimer"
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B, N‐co‐doped graphene‐supported Ir and Pt clusters for methane activation and C─C coupling: A density functional theory study
Published in Journal of computational chemistry (30-01-2020)“…Methane conversion by using transition metal catalysts plays in an important role in various usages of the industrial process. The mechanism of methane…”
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Formation of ethane by activation of methane on B, N co-doped graphene surface decorated by Ir13 cluster: A first principle study
Published in Applied surface science (01-05-2024)“…[Display omitted] •Methane is activated at the low activation energy of 0.16 eV on a BNG-Ir13 cluster.•Formation of ethane is favoured via a suitable control…”
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Removal of phosphate from wastewater using zirconium/iron embedded chitosan/alginate hydrogel beads: An experimental and computational perspective
Published in International journal of biological macromolecules (01-11-2024)“…Adsorptive removal of phosphate plays a crucial role in mitigating eutrophication. Herein, the Zr/Fe embedded chitosan/alginate hydrogel bead (Zr/Fe/CS/Alg) is…”
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First Principles Investigation of Gas Adsorption on Bilayer Transition Metal Dichalcogenides for Sensing Toxic Gases
Published 10-09-2024“…Transition metal dichalcogenides have shown great promise in the field of gas sensing due to their high catalytic activity and unique electronic properties…”
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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
Published 20-05-2024“…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…”
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Tribo-piezoelectric Nanogenerators for Energy Harvesting: a first-principles study
Published 19-04-2024“…Two-dimensional transition metal dichalcogenides (TMDs) are highly promising candidates for various applications due to their unique electrical, optical,…”
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