Publications

(For a full list of publications, go to Google Scholar.)

Group highlights

At WTAMU

Photocatalysis of Methane on TiO2 Catalyst using First Principles and Kinetic Monte-Carlo Approach
Juganta K. Roy, Mona Abdelgaid, Henrik Grönbeck, Giannis Mpourmpakis
ACS Catal. 15(2),1195–1205 (2025)

Photochemical versus thermal thiol-ene “click chemistry” for renewable polyols with application in polyurethanes
Maha L. Shrestha, Juganta K. Roy, Mihail Ionescu, Jerzy Leszczynski
JAOCS, 102(6),973-983 (2025)

Designing Thiadiazoloquinoxaline- based Conjugated Polymers for Efficient Organic Photovoltaics: A DFT/TDDFT Study
Taylor A. Dorlus, Juganta K. Roy, Jerzy Leszczynski
Molecules 29(7),1580 (2024)

Role of π-spacers and acceptors in regulating the photophysical properties of BTPA donor-based dyes: First-principles approach
Juganta K. Roy, Asmita Adhikari, Tyler Lafferty
ACS JPCC (submitted)

Thermocatalytic Behavior of TiO2 as a Dehydrogenation Catalyst: A Case Study of Methane Activation and Nonoxidative Coupling
Juganta K. Roy, Mona Abdelgaid, Giannis Mpourmpakis
Molecular Catalysis (submitted)

Adsorption behavior of Fe_3 O_4 on cellulose nanocrystal (CNC) and TEMPO-modified CNC
Juganta K. Roy et al.
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Mechanistic understanding of E/Z-Tosylhydrazone formation
Juganta K. Roy et al.
under preparation