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A list of all the posts and pages found on the site. For you robots out there is an XML version available for digesting as well.
Pages
About Me
About me
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Posts
Future Blog Post-working
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Ph.D mommy life
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This page is currently under construction. Thank you for your patience and understanding
Pregnancy and Ph.D
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This page is currently under construction. Thank you for your patience and understanding
Work life balance as a women in science
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This page is currently under construction. Thank you for your patience and understanding This blog post is a personal experience as a women in science.
Do outreach during grad school
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This page is currently under construction. Thank you for your patience and understanding. This blog post is about my personal experience on outreach activities during my graduate studies.
portfolio
Acetic acid decarboxylation reaction.
Acetic acid decarboxylation on magnesium hydroxide nanoclusters using the density functional theory.
Novel reaction pathway to produce H2 from water splitting reaction
Schematic representation of the hydrogen production via the water splitting reaction on GO-(ZnO)3 catalytic system. 1 and 3 on H and O denotes the singlet and triplet states. 
publications
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).
Acetic acid and propionic acid decarboxylation on Mg(OH)2 nanoclusters: a density functional theory study
Published in Journal of Materials Science, 2020
This paper is about Acetic acid decarboxylation reaction on magnesium hydroxide nanoclusters using the density functional theory.
Recommended citation: DC Perera, JW Hewage, JC Rasaiah. (2020). " Acetic acid and propionic acid decarboxylation on Mg(OH)2 nanoclusters: a density functional theory study." Journal of Materials Science.
Exchange Functionals and Basis Set Comparisons for Theoretical Studies of ZnO Nanoclusters - ChemRxiv
Published in ChemRxiv, 2021
This study explains the basis set comparison for small ZnO clusters using density functional theory.
Recommended citation: D Perera. (2021). " Exchange Functionals and Basis Set Comparisons for Theoretical Studies of ZnO Nonoclusters." Chemrxiv. 1(6).
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 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)
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).
Computational study of H2O adsorption and hydrolysis on (ZnO)3 nanoclusters deposited on graphene and graphene oxides - ChemRxiv
Published in ChemRxiv, 2022
This study is about using ZnO nanoclusters absorbed on graphene oxide as a photocatalyst for water splitting reaction using density functional theory.
Recommended citation: D Perera, J Rasaiah. (2022). " Computational study of H2O adsorption and hydrolysis on (ZnO)3 nanoclusters deposited on graphene and graphene oxides." Chemrxiv. 1(7).
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
talks
Ab initio studies of Magnesium Hydroxide Nanoparticles as potential catalysts for thermal decomposition of Acetic Acid
Published:
I presented my work on the Ab initio studies of Magnesium Hydroxide Nanoparticles as potential catalysts for the thermal decomposition of Acetic Acid at the American Chemical Society North Eastern Regional Meeting
Quantum Mechanical Studies of Catalytic effects on water splitting on the ZnO clusters
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This is a conference poster presentation on Quantum Mechanical Studies of Catalytic effects on water splitting on the ZnO clusters
Quantum Mechanical Studies of Catalytic effects on water splitting on ZnO clusters
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I presented my work on the Quantum Mechanical Studies of Catalytic effects on water splitting on the ZnO clusters at the CRYSTAL Workshop (Minnesota workshop on ab initio modeling in solid state chemistry with CRYSTAL)
Ab initio calculations of catalytic water splitting with ZnO catalyst
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I presented my work on the Ab initio calculations of catalytic water splitting with ZnO catalyst at Gordon Research Seminar and Conference
Theoretical study of the thermal decomposition of acetic acid on Mg(OH)2 nano surface using DFT
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I presented my work on the Theoretical study of thermal decomposition of acetic acid on Mg(OH)2 nano surface using DFT at the 256th ACS National Meeting organized by the American Chemical Society
Density Functional Theory Study of Water Splitting on ZnO Catalyst Adsorbed on Graphene Oxide
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I presented my work on the Density Functional Theory Study of Water Splitting on ZnO Catalyst Adsorbed on Graphene Oxide at the APS March meeting organized by the American Physical Society
Theoretical study and design of a catalytic reaction using density functional theory: Acetic acid decarboxylation in the gas phase and on Mg(OH)2 nanosurfaces
Published:
At this conference, I presented my work on the Theoretical study and design of a catalytic reaction using density functional theory: Acetic acid decarboxylation in the gas phase and on Mg(OH)2 nanosurfaces
The Effect of Graphene Oxide in Adsorption of Water on ZnO Clusters: A DFT Study
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This is a conference poster presentation on The Effect of Graphene Oxide in Adsorption of Water on ZnO Clusters: A DFT Study. More information can be found on Website
Density Functional Theory Study of the Effect of Graphene Oxide (GO) on the Hydrolysis Reaction of ZnO Nanoclusters with Water
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This is a conference poster presentation on the Density Functional Theory Study of the Effect of Graphene Oxide (GO) on the Hydrolysis Reaction of ZnO Nanoclusters with Water
A Density Functional Study of Water Splitting Reaction Pathway on ZnO Nanoclusters
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This is an oral (Invited) presentation, where I talked about, A Density Functional Study of Water Splitting Reaction Pathway on ZnO Nanoclusters
Exchange Functionals and Basis Sets for Density Functional Theory Study of ZnO Nanoclusters in Photocatalytic Reactions (Oral)
Published:
More information can be found Website
Reaction pathways for the hydrolysis of (ZnO)3 nanoclusters on graphene oxide as a key step for water splitting reaction– A DFT study
Published:
I presented my work on Reaction pathways for the hydrolysis of (ZnO)3 nanoclusters on graphene oxide as a key step for water splitting reaction at the ACS National Meeting organized by the American Chemical Society. Find more information here
Effect of Graphene Oxide on the photocatalytic properties of ZnO nanoclusters: A Theoretical Study
Published:
This is the northeastern regional conference organized by the American Chemical Society where I talked about the effect of Graphene Oxide on the photocatalytic properties of ZnO nanoclusters: A Theoretical Study.
teaching
Teaching experience as a teaching assistant at the University of Ruhuna
Undergraduate course, The University of Ruhuna, Department of Chemistry, 2014
I worked as a Teaching Assistant for undergraduate General Chemistry laboratory courses, where I guided students through experiments, ensured lab safety, graded reports, and supported their understanding of fundamental chemical principles.
Teaching experience as a graduate teaching assistant at the University of Maine, Orono
Undergraduate, The University of Maine, Department of Chemistry, 2016
I worked as a Graduate Teaching Assistant for undergraduate General Chemistry laboratory courses at the University of Maine, Orono, ME (01/21/2026 - 08/31/2022), where I guided students through experiments, ensured lab safety, graded reports, and supported their understanding of fundamental chemical principles.
Teaching experience as a graduate teaching assistant at the University of Maine, Machias
Undergraduate course, The University of Maine, Department of Chemistry, 2022
I worked as a Graduate Teaching Assistant for undergraduate General Chemistry I taught by Dr. William Otto at the Department of Chemistry, University of Maine, Machias, ME, where I guided students through experiments, ensured lab safety, graded reports, and supported their understanding of fundamental chemical principles.