11 citations · 28 across the 12 of their papers we have counts for
12 papers
Feasibility of Li decorated Si6C14 and Si8C12 nanocages as promising hydrogen storage media: A computational study
Ankita Jaiswal, Rakesh K. Sahoo, Sridhar Sahu
This article presents the reversible hydrogen storage capacities of Li-decorated Si6C14 and Si8C12 using Density Functional Theory (DFT). The chemical stabilities of the designed S…
Transition from chemisorption to physisorption of H2 on Ti functionalized [2,2,2]paracyclophane: A computational search for hydrogen storage
Rakesh K. Sahoo, Sridhar Sahu
In this work, we studied the hydrogen adsorption-desorption properties and storage capacities of Ti functionalized [2,2,2]paracyclophane (PCP222) using density functional theory an…
Hydrogen storage in Li functionalized [2,2,2]paracyclophane at cryogenic to room temperatures: A computational quest
Rakesh K. Sahoo, Sridhar Sahu
In this work, we have studied the hydrogen adsorption-desorption properties and storage capacities of Li functionalized [2,2,2]paracyclophane (PCP222) using dispersion-corrected de…
Computational Design of Crescent Shaped Promising NonFullerene Acceptors with 2,3-quinoxaline,1,4-dihydro Core and Different Electron-withdrawing Terminal Units for Photovoltaic Applications
Labanya Bhattacharya, Alex Brown, Sagar Sharma +1
This study aims to design a series of non-fullerene acceptors (NFAs) for photovoltaic applications having 2,3-quinoxalinedione,1,4-dihydro fused thiophene derivative as the core un…
High capacity H2 adsorption over Si4Lin (n=1-3) binary clusters: A DFT study
Ankita Jaiswal, Sridhar Sahu
This paper presents a detailed study of the hydrogen adsorption properties of small silicon-lithium binary nanoclusters. The stabilities of H2 adsorbed binary clusters are assured…
Reversible hydrogen storage capacity of Sc and Y functionalized [1,1]paracyclophane: Insights from density functional study
Rakesh K. Sahoo, P. Kour, Sridhar Sahu
This work reports the hydrogen storage, and delivery capacities of Sc and Y functionalized [1,1]paracyclophane using dispersion corrected density functional theory calculations. Th…