A theoretic study of the indene adsorption on SiO2 surfaces

被引：2
|
作者：
Belelli, PG
Ferreira, ML
Juan, A
Damiani, DE
机构：
[1] UNS CONICET, PLAPIQUI, RA-8000 Bahia Blanca, Buenos Aires, Argentina
[2] Univ Nacl Sur, Dept Fis, RA-8000 Bahia Blanca, Buenos Aires, Argentina
来源：
COMPUTATIONAL MATERIALS SCIENCE | 2000年 / 17卷 / 01期
关键词：
theoretical study; indene adsorption; treated SiO2; SiCl4;
D O I：
10.1016/S0927-0256(99)00088-9
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We studied the indene adsorption on silica surfaces with or without SiCl4. The analysis was realized by means of a semiempirical molecular orbital method. The results show a high degree of selectivity towards the different points of anchoring on the surface. These depend on the silica plane without treatment, species found on SiO2/SiCl4 and the different ways in which the indene molecule approaches the surface. The more stable adsorptions were found over the silica without SiCl4 treatment. (C) 2000 Published by Elsevier Science B.V. All rights reserved.
引用
收藏
页码：61 / 72
页数：12
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