Adsorption and molecular transformation mechanisms of mercury sulfide on mackinawite surfaces: A DFT-D3 study

Adsorption and molecular transformation mechanisms of mercury sulfide on mackinawite surfaces: A DFT-D3 study

Mackinawite (FeS), a common metallic sulfide mineral, plays a crucial role in regulating the bioavailability and mobility of mercury sulfide (HgS) in the environment. However, molecular-level insights into HgS interactions with FeS surfaces are currently limited. This study used density functional t...

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Bibliographic Details
Main Authors: Fayang Guo, Yi Zhang, Yuxiang Mao, Yinchuan Li, Shunlin Tang, Mingshi Wang, Mingfei Xing, Fengcheng Jiang, Qiaoyun Huang, Xingmin Rong
Format: Article
Language:English
Published: Elsevier 2025-05-01
Series:Chemical Engineering Journal Advances
Subjects:
HgS
Mackinawite
Adsorption
Density functional theory
Structural evolution
Online Access:http://www.sciencedirect.com/science/article/pii/S2666821125000213
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http://www.sciencedirect.com/science/article/pii/S2666821125000213

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