2 papers
cond-mat.mtrl-sci2025
Computational study of geometry, electronic structure and low-lying excited states of linear T-graphene quantum dots
Arifa Nazir, Alok Shukla
A few years ago, by means of first-principles calculations, Enyashin et al.(2011) proposed several novel monolayers of carbon containing rings other than hexagons. One of those mon…
cond-mat.mtrl-sci2025
Exciton Basis Description of Ultrafast Triplet Separation in Pentacene-(Tetracene)2-Pentacene Intramolecular Singlet Fission Chromophore
Arifa Nazir, Alok Shukla, Sumit Mazumdar
Precise understanding of the electronic structures of optically dark triplet-triplet multiexcitons that are the intermediate states in singlet fission (SF) continues to be a challe…