Publications

(For a full list of publications, please check Google Scholar, ORCID)

Group highlights

At WTAMU

Thermocatalytic Behavior of TiO2 as a Dehydrogenation Catalyst: A Case Study of Methane Activation and Nonoxidative Coupling.
Juganta K. Roy, Mona Abdelgaid, Giannis Mpourmpakis
ACS Omega, 11(4), 6285–6292 (2026)

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
J. Phys. Chem. A, 129(48),11104–11116 (2025)

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)

Magnetite Coated Cellulose Nanocrystals: Self-Assembly Interactions and Magnetic Hyperthermia Studies
Mohammad Jahid Hasan, Erin L. McNeill, Juganta K. Roy, Kishore Chand, Monishita Deb, Katherine Schlaak, Sydney Herzog, Sarah Watzman, Yvonne Sun, Esteban E. Ureña-Benavides, Erick S. Vasquez-Guardado
Under Review in ACS Applied Nanomaterials

Exploring Hole-Transport Materials to Enhance Perovskite Solar Cells Efficiency: A Data-Driven Approach
Tyler Lafferty and Juganta K. Roy
Under Preparation

Mechanistic Understanding of E/Z-Tosylhydrazone Formation
Maha Shrestha and Juganta K. Roy
under preparation