Dataset: Utilization of Novel (KNbO3)1-x(Ba2FeNbO6)x (x = 0.1, 0.2, 0.3) Solid Solutions for Efficient Photo-assisted Fenton Degradation of Methylene Blue Dye

Supplemental information containing the inputs and outputs of all DFT calculations performed as part of this work. This archive contains the following scripts: defects_workup.py: a Python script for processing all calculations in a given folder. It extracts the total energy, estimated SCF accuracy (...

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Bibliographische Detailangaben

Hauptverfasser:	Avcıoğlu, Celal, Kraus, Peter, Müller, Julian T., Avcıoğlu, Suna, Gurlo, Aleksander, Bekheet, Maged F.
Format:	Dataset
Sprache:	eng
Online-Zugang:	Volltext bestellen
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