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20082024
most citedComputational Design of Crescent Shaped Promising NonFullerene Acceptors with 2,3-quinoxaline,1,4-dihydro Core and Different Electron-withdrawing Terminal Units for Photovoltaic Applications

11 citations · 28 across the 12 of their papers we have counts for

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Showing 2022Show all

3 papers · 1 filter

cond-mat.mtrl-sci2022★ 11 cited

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…

physics.app-ph2022

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…

physics.chem-ph2022

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…