Transformative Pyrolysis of Cellulose/MIL-100(Fe) Composite: A Combined Experimental and DFT Study on Dye Removal
Description
The adsorption structures for methylene blue on different pyrolysis products investigated in the study. The files contained in the archive present structures for Fe(110), Fe3C, Fe3O4 and graphene with methylene blue, both in cationic form and with the chloride counter-ion present. All trajectories are in the ASE ”traj”-format.
Show moreYear of publication
2024
Type of data
Authors
Kemian laitos
Hanan Ibrahim - Creator
Timo Weckman - Publisher
Karoliina Honkala - Contributor
Project
Other information
Fields of science
Chemical sciences
Language
Open access
Open