52 citations · 161 across the 5 of their papers we have counts for
5 papers
Phonons and Thermal Conducting Properties of Borocarbonitride (BCN) Nanosheets
Himanshu Chakraborty, Santosh Mogurampelly, Vivek K. Yadav +2
Hexagonal borocarbonitrides (BCN) are a class of 2D materials, which display excellent catalytic activity for water splitting. Here, we report analysis of thermal stability, phonon…
Tunable Optoelectronic Properties of Triply-Bonded Carbon Molecules with Linear and Graphyne Substructures
Deepak Kumar Rai, Himanshu Chakraborty, Alok Shukla
In this paper we present a detailed computational study of the electronic structure and optical properties of triply-bonded hydrocarbons with linear, and graphyne substructures, wi…
Theory of Linear Optical Absorption in Diamond Shaped Graphene Quantum Dots
Tista Basak, Himanshu Chakraborty, Alok Shukla
In this paper, optical and electronic properties of diamond shaped graphene quantum dots (DQDs) have been studied by employing large-scale electron-correlated calculations. The com…
Theory of Triplet Optical Absorption in Oligoacenes: From Naphthalene to Heptacene
Himanshu Chakraborty, Alok Shukla
In this paper we present a detailed theory of the triplet states of oligoacenes containing up to seven rings, i.e., starting from naphthalene all the way up to heptacene. In partic…
Pariser-Parr-Pople Model based Investigation of Ground and Low-Lying Excited States of Long Acenes
Himanshu Chakraborty, Alok Shukla
Several years back Angliker et al [Chem. Phys. Lett. 1982, 87, 208] predicted nonacene to be the first linear acene with the triplet state as the ground state, instea…