41 citations · 160 across the 20 of their papers we have counts for
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A Theoretical and Computational Study of H Physisorption on Covalent Organic Framework Linkers and Metalated Linkers: A Strategy to Enhance Binding Strength
Nilima Sinha, Srimanta Pakhira
Hydrogen is deemed as an attractive energy carrier alternative to fossil fuels, and it is required to store for many applications. Physisorption is one of the promising ways to sto…
Unveiling the Role of 2D Monolayer Mn-doped MoS Material: Toward an Efficient Electrocatalyst for H Evolution Reaction
Joy Ekka, Shrish Nath Upadhyay, Frerich J. Keil +1
Two-dimensional (2D) monolayer pristine MoS transition metal dichalcogenide (TMD) is the most studied material because of its promising aspects as nonprecious electrocatalyst f…
Relativistic Quantum Calculations to Understand the Contribution of f-Orbitals and Chemical Bonding of Actinides with Organic Ligands
Andy D. Zapata-Escobar, Srimanta Pakhira, Joaquin Barroso-Flores +2
The nuclear waste problem is one of the main interests of the rare earth and actinide elements chemistry. Studies of Actinide-containing compounds are at the frontier of the applic…
2D Mn Doped MoS: An Efficient Electrocatalyst for Hydrogen Evolution Reaction
Joy Ekka, Shrish Nath Upadhyay, Verma Bunty Sardar +1
Earth-abundant two-dimensional (2D) pristine transition metal dichalcogenides (TMDs) have emerged as a superlative class of materials for several applications in electronic devices…