Ph.D in Computational Chemistry. A postdoctoral research fellow who likes to explore new materials using computational tools

Publications

Computational Study of H2O Adsorption, Hydrolysis, and Water Splitting on (ZnO)3 Nanoclusters Deposited on Graphene and Graphene Oxides

Published in ACS Omega, 2023

In this study, we investigated the possibilities of using ZnO-Graphene Oxide nano cluster system in a favorable way of producing hydrogen from the water splitting reaction.

Recommended citation: Computational Study of H2O Adsorption, Hydrolysis, and Water Splitting on (ZnO)3 Nanoclusters Deposited on Graphene and Graphene Oxides Duwage C. Perera and Jayendran C. Rasaiah ACS Omega 2023 8 (35), 32185-32203 DOI: 10.1021/acsomega.3c04882

Exchange Functionals and Basis Sets for Density Functional Theory Studies of Water Splitting on Selected ZnO Nanocluster Catalysts

Published in ACS omega, 2022

This paper is about structural and electronic properties of small ZnO clusters. Moreover, this paper discussed the use of ZnO nanoclusters as a potential catalyst for water-splitting reactions.

Recommended citation: DC Perera, JC Rasaiah. (2022). "Exchange Functionals and Basis Sets for Density Functional Theory Studies of Water Splitting on Selected ZnO Nanocluster Catalysts." ACS omega. 1(3).

Theoretical Study of the stability, structure, and optical spectra of small silver Clusters and their formation using density functional Theory

Published in Physical Chemistry Chemical Physics, 2021

This paper is about understanding the formation of small Ag cluster using density functional theory.

Recommended citation: M Farshad, DC Perera, JC Rasaiah. (2021). " Theoretical study of the stability, structure, and optical spectra of small silver clusters and their formation using density functional theory3." Physical Chemistry Chemical Physics.1(4)

Designing a Remote, Synchronous, Hands-On General Chemistry Lab Course

Published in Journal of Chemical Education, 2021

This paper is about developing a remote, synchronous general chemistry lab course.

Recommended citation: Mitchell RM Bruce, Alice E Bruce, Sarah E Bernard, Andrew N Bergeron, Ahmad AL Ahmad, Timothy A Bruce, Duwage C Perera, Shyam Pokhrel, Sfoog Saleh, Anna Tyrina, Sudheera Yaparatne. (2021). " Designing a Remote, Synchronous, Hands-On General Chemistry Lab Course." Journal of Chemical Education.1(5)

Theoretical Study of Catalytic Decomposition of Acetic Acid on MgO nanosurface

Published in Computational and Theoretical Chemistry, 2015

This paper is about using MgO nanoclusters as a potential catalysis for acetic acid decarboxylation reaction.

Recommended citation: DC Perera, JW Hewage, N de Silva. (2015). " Theoretical study of catalytic decomposition of acetic acid on MgO nanosurface." Computational and theoretical Chemistry.1(1).