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Transformative Pyrolysis of Cellulose/MIL-100(Fe) Composite: A Combined Experimental and DFT Study on Dye Removal

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DataCite Commons2024-11-04 更新2025-04-16 收录
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https://etsin.fairdata.fi/dataset/77db9175-0c31-4892-8c99-752e3c626c09
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资源简介:
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.
提供机构:
Timo Weckman
创建时间:
2024-11-04
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