Interlayer Structures and Dynamics of Arsenate and Arsenite Intercalated Layered Double Hydroxides: A First Principles Study

Abstract

In this study, by using first principles simulation techniques, we explored the basal spacings, interlayer structures, and dynamics of arsenite and arsenate intercalated Layered double hydroxides (LDHs). Our results confirm that the basal spacings of NO3-LDHs increase with layer charge densities. It is found that Arsenic (As) species can enter the gallery… (More)

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Cite this paper

@inproceedings{Zhang2017InterlayerSA, title={Interlayer Structures and Dynamics of Arsenate and Arsenite Intercalated Layered Double Hydroxides: A First Principles Study}, author={Yingchun Zhang and Xiandong Liu and Xiancai Lu and Kideok D. Kwon}, year={2017} }