UNISA-Brazil Symposium

Session

Session 4

28 Oct 2026, 14:30

Conveners

Session 4

• Duke Oeba (Department of Physics, Egerton University, Njoro, 536-20115, Kenya)

17. Unravelling the Interfacial and Photovoltaic Properties of ZnTiO3-Based Solid-state Dye-Sensitized Solar Cells Using DFT and SCAPS-1D

Ephantus Njeru (University of South Africa, Florida Campus)

28/10/2026, 14:30

Oral Presentation

Abstract
The study investigated the photovoltaic performance and optimization of FTO/ZnTiO3 /N719/Cu2O/Pt heterojunction solar cells using a combined DFT and SCAPS-1D computational approach. Density Functional Theory (DFT) was used to calculate the electronic structure and band alignments of the ZnTiO3 electron transport layer (ETL) and Cu2O hole transport layer (HTL). The DFT-realized...

46. [PLENARY TOPIC] Computational Design of Electrocatalysts for Hydrogen and Oxygen Evolution Reactions (online)

Juarez L. F. Da Silva (São Carlos Institute of Chemistry, University of São Paulo)

28/10/2026, 14:50

Oral Presentation

Transitioning to sustainable clean energy requires efficient electrocatalysts to drive the cathodic hydrogen evolution reaction (HER) and anodic oxygen evolution reaction (OER) in water splitting. In this presentation, we will report computational results based on the combination of density functional theory calculations, the computational hydrogen electrode framework, and machine learning...

37. The Hopf algebra structure of Leigh-Strassler theories

Hector Dlamini

28/10/2026, 15:30

Oral Presentation

We argue and demonstrate that Hopf algebras are the mathematical language most suited to describe the symmetry structure of Leigh-Strassler theories while maintaining their relation to the super Yang-Mills theory [the parent theory].