Juganta K Roy

2021- Chemical and Petroleum Engineering University of Pittsburgh, PA 
Physical Chemistry, Computational Chemistry, Optoelectronics, Machine Learning, Polymeric Materials, Photocatalysis
"Juganta K. Roy"
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Roy JK, Pinto HP, Leszczynski J. (2021) Interaction of epoxy-based hydrogels and water: A molecular dynamics simulation study. Journal of Molecular Graphics & Modelling. 106: 107915
Mazierski P, Roy JK, Mikolajczyk A, et al. (2021) Systematic and detailed examination of NaYF4-Er-Yb-TiO2 photocatalytic activity under Vis–NIR irradiation: Experimental and theoretical analyses Applied Surface Science. 536: 147805
Vijayan SM, Sparks N, Roy JK, et al. (2020) Evaluating Donor Effects in Isoindigo-Based Small Molecular Fluorophores. The Journal of Physical Chemistry. A
Roy JK, Kar S, Leszczynski J. (2020) Revealing the Photophysical Mechanism of N,N′-Diphenyl-aniline Based Sensitizers with the D–D−π–A Framework: Theoretical Insights Acs Sustainable Chemistry & Engineering. 8: 13328-13341
Roy JK, Vasquez ES, Pinto HP, et al. (2019) Computational and experimental approach to understanding the structural interplay of self-assembled end-terminated alkanethiolates on gold surfaces. Physical Chemistry Chemical Physics : Pccp
Roy JK, Kar S, Leszczynski J. (2019) Optoelectronic Properties of C and C Fullerene Derivatives: Designing and Evaluating Novel Candidates for Efficient P3HT Polymer Solar Cells. Materials (Basel, Switzerland). 12
Roy JK, Kar S, Leszczynski J. (2019) Electronic Structure and Optical Properties of Designed Photo-Efficient Indoline-Based Dye-Sensitizers with D–A−π–A Framework The Journal of Physical Chemistry C. 123: 3309-3320
Mazierski P, Arellano Caicedo PN, Grzyb T, et al. (2019) Experimental and computational study of Tm-doped TiO2: The effect of Li+ on Vis-response photocatalysis and luminescence Applied Catalysis B: Environmental. 252: 138-151
Roy JK, Kar S, Leszczynski J. (2018) Insight into the optoelectronic properties of designed solar cells efficient tetrahydroquinoline dye-sensitizers on TiO(101) surface: first principles approach. Scientific Reports. 8: 10997
Kar S, Roy JK, Leszczynski J. (2017) In silico designing of power conversion efficient organic lead dyes for solar cells using todays innovative approaches to assure renewable energy for future Npj Computational Materials. 3
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