Limitations of the Tauc plot method

J Klein, L Kampermann, B Mockenhaupt… - Advanced Functional …, 2023 - Wiley Online Library
The Tauc plot is a method originally developed to derive the optical gap of amorphous
semiconductors such as amorphous germanium or silicon. By measuring the absorption …

Restricted Open-Shell Hartree–Fock Method for a General Configuration State Function Featuring Arbitrarily Complex Spin-Couplings

T Leyser da Costa Gouveia, D Maganas… - The Journal of …, 2024 - ACS Publications
In this work, we present a general spin restricted open-shell Hartree–Fock (ROHF)
implementation that is able to generate self-consistent field (SCF) wave functions for an …

Towards High-Performance Photo-Fenton Degradation of Organic Pollutants with Magnetite-Silver Composites: Synthesis, Catalytic Reactions and In Situ Insights

K Nchimi Nono, A Vahl, H Terraschke - Nanomaterials, 2024 - mdpi.com
In this study, Fe3O4/Ag magnetite-silver (MSx) nanocomposites were investigated as
catalysts for advanced oxidation processes by coupling the plasmonic effect of silver …

Restricted Open-Shell Hartree–Fock Method for a General Configuration State Function Featuring Arbitrarily Complex Spin-Couplings

TL da Costa Gouveia, D Maganas… - The Journal of Physical …, 2024 - pmc.ncbi.nlm.nih.gov
In this work, we present a general spin restricted open-shell Hartree–Fock (ROHF)
implementation that is able to generate self-consistent field (SCF) wave functions for an …