Atomic reconstruction and oxygen adsorption behavior of the pyrite (100) surface: a DFT study

Chen, Manjiao; Hu, Xinjun; Zhou, Xiaohai; Li, Xiulan; Tian, Jianping

doi:10.1039/d3cp00039g

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Atomic reconstruction and oxygen adsorption behavior of the pyrite (100) surface: a DFT study

Abstract: The analysis of the surface chemical behavior of pyrite is highly crucial in the fields of the environment conservation, metal extraction, and flotation separation. In this paper, the mechanism of...

Cited by 4 publications

References 47 publications

Influence of pyrite surface defects on xanthate adsorption: A density functional theory perspective

Influence of pyrite surface defects on xanthate adsorption: A density functional theory perspective

An evaluation of pyrite as a component of respirable coal dust

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