Probing the Local Environment of Al-Substitution into Ferrihydrite Using DFT + <i>U</i> Calculations-Reference-Cited by-同舟云学术

Probing the Local Environment of Al-Substitution into Ferrihydrite Using DFT + U Calculations

Published:2023-02-02 Issue:6 Volume:127 Page:3285-3294
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Guimarães Walber Gonçalves¹^ORCID,Ferreira de Lima Guilherme¹^ORCID,Duarte Hélio Anderson¹^ORCID

Affiliation:

1. Grupo de Pesquisa em Química Inorgânica Teórica─GPQIT, Departamento de Química, Instituto de Ciências Exatas, Universidade Federal de Minas Gerais, Belo Horizonte, Minas Gerais31270-901, Brazil

Funder

Funda??o de Amparo ? Pesquisa do Estado de Minas Gerais

Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico

Coordena??o de Aperfei?oamento de Pessoal de N?vel Superior

National Institute of Science and Technology for Mineral Resources, Water and Biodiversity

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.2c08276

Reference77 articles.

1. The influence of Al on iron oxides. Part III. Preparation of Al goethites in M KOH

2. Long-term in vitro transformation of 2-line ferrihydrite to goethite/hematite at 4, 10, 15 and 25°C

3. Formation and Properties of a Continuous Crystallinity Series of Synthetic Ferrihydrites (2- To 6-line) and their Relation to FeOOH Forms

4. Studies on the controllable transformation of ferrihydrite

5. Thermodynamics of iron oxides: Part III. Enthalpies of formation and stability of ferrihydrite (∼Fe(OH)3), schwertmannite (∼FeO(OH)3/4(SO4)1/8), and ε-Fe2O3

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