Outline
DOI: 10.1039/d3cp00038a ISSN: 1463-9076
First principles study of structural and electron properties in scorodite: the bulk and surface
Manjiao Chen, Xinjun Hu, Xinjun Zhou, Jianping Tian, Xinqiang Yi, Xiulan Li- Physical and Theoretical Chemistry
- General Physics and Astronomy
The water molecules were neutral in scorodite bulk. The Fe atoms on the surface can coordinate with H2O or OH, but As atoms on the surface can only coordinate with OH.
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