Computational Study of APTES Surface Functionalization of Diatom-like Amorphous SiO2 Surfaces for Heavy Metal Adsorption
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چکیده
منابع مشابه
Computational Study of the Adsorption of Trichlorophosphate, Dimethyl Methylphosphonate, and Sarin on Amorphous SiO2
Ab initio quantum chemical calculations have been performed to study the adsorption of trichlorophosphate, dimethyl methylphosphonate, and Sarin via hydrogen bonding to Si-OH groups on the amorphous SiO2 (a-SiO2) surface. Two SiO2 models are used: a small Si5O7H8 “cagelike” cluster and a larger Si21O56H28 structure designed to approximate the local environment in a-SiO2. In the latter case, reg...
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ژورنال
عنوان ژورنال: Langmuir
سال: 2020
ISSN: 0743-7463,1520-5827
DOI: 10.1021/acs.langmuir.9b03755