114 citations · 354 across the 7 of their papers we have counts for
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Mechanical Force-Driven Charge Redistribution for Hydrogen Release at Ambient Conditions in Transition Metal-Intercalated Bilayer Graphene
Jongdeok Kim, Vikram Mahamiya, Massimiliano Di Ventra +1
Transition-metal (TM) atom-functionalized nanomaterials are promising candidates for hydrogen storage due to their ability to adsorb multiple hydrogen molecules through Kubas inter…
Characterization of Silicon Carbide Biphenylene Network through G0W0-BSE Calculations
Arushi Singh, Vikram Mahamiya, Alok Shukla
Two-dimensional silicon carbide stands out among 2D materials, primarily due to its notable band gap, unlike its carbon-based counterparts. However, the binary nature and non-layer…
Remarkable enhancement in catechol sensing by the decoration of selective transition metals in biphenylene sheet: A systematic first-principles study
Vikram Mahamiya, Juhee Dewangan, Alok Shukla +1
Motivated by the recent successful synthesis of biphenylene structure [Science 372, (2021), 852], we have explored the sensing properties of this material towards the catechol biom…
Influence of compressive strain on the hydrogen storage capabilities of graphene: A density functional theory study
Vikram Mahamiya, Alok Shukla, Nandini Garg +1
Pristine graphene is not suitable for hydrogen storage at ambient conditions since it binds the hydrogen molecules only by van der Waals interactions. However, the adsorption energ…
Ultrahigh reversible hydrogen storage in K and Ca decorated 4-6-8 biphenylene sheet
Vikram Mahamiya, Alok Shukla, Brahmananda Chakraborty
By applying density functional theory (DFT) and ab-initio molecular dynamics (AIMD) simulations, we predict the ultrahigh hydrogen storage capacity of K and Ca decorated single-lay…
High-capacity reversible hydrogen storage in scandium decorated holey graphyne: Theoretical perspectives
Vikram Mahamiya, Alok Shukla, Nandini Garg +1
We have investigated the hydrogen storage capabilities of scandium decorated holey graphyne, a recently synthesized carbon allotrope, by applying density functional theory and mole…