DFT simulation of S-species interaction with smithsonite (0 0 1) surface: Effect of water molecule adsorption position

Surface sulfidization is the key to achieving good flotation performance of smithsonite, but its reaction mechanism at the atomic level remains poorly understood. In this work, the interaction of two S-species, i.e., S2− and SH− with smithsonite (0 0 1) surface in presence of water molecule was inve...

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Bibliographic Details
Main Authors: Jian Liu, Yong Zeng, Majid Ejtemaei, Anh V. Nguyen, Yu Wang, Shuming Wen
Format: Article
Language:English
Published: Elsevier 2019-12-01
Series:Results in Physics
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379719315967