Interlayer Structure and Ion-Exchange Properties of Hydrotalcite Intercalated with CO32-, CrO42-, SO42- and NO3-

Abstract:

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A double-sheets model was proposed to investigate the interlayer structure and properties of hydrotalcite (HT) containing CO32-, CrO42-, SO42- and NO3- using density functional theory, and the configuration and distribution of four anions in the interlayer of HT were obtained. The frontier orbital of the host layer interacts with that of the guest anions, and the electron transfers from HOMO of anions to LUMO of the host layer. Moreover, the order in the absolute value of binding energy is: CO32- >CrO42- >SO42- > NO3-, that remains consistent with the ion-exchange ability of HT reported.

Info:

Periodical:

Advanced Materials Research (Volumes 287-290)

Edited by:

Jinglong Bu, Pengcheng Wang, Liqun Ai, Xiaoming Sang, Yungang Li

Pages:

2102-2105

DOI:

10.4028/www.scientific.net/AMR.287-290.2102

Citation:

G. X. Pan et al., "Interlayer Structure and Ion-Exchange Properties of Hydrotalcite Intercalated with CO32-, CrO42-, SO42- and NO3-", Advanced Materials Research, Vols. 287-290, pp. 2102-2105, 2011

Online since:

July 2011

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$35.00

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