First principles studies on boron sites

被引：0
|
作者：
Fois, Ettore [1 ]
Gamba, Aldo [1 ]
Tabacchi, Gloria [1 ]
Trudu, Federica [1 ]
机构：
[1] Univ Insubria, Dipartimento Sci Chim & Ambientali, Via Lucini 3, I-22100 Como, Italy
来源：
ZEOLITES AND RELATED MATERIALS: TRENDS, TARGETS AND CHALLENGES, PROCEEDINGS OF THE 4TH INTERNATIONAL FEZA CONFERENCE | 2008年 / 174卷
关键词：
DFT calculations; boron zeolites; acid sites; silanols;
D O I：
暂无
中图分类号：
O69 [应用化学];
学科分类号：
081704 ;
摘要：
Results of periodic first-principles calculations on boron containing zeolites are presented. The boron site trigonal-to-tetrahedral transition is studied in model B-SOD and B-FER. We show how boron acid sites in different frameworks respond differently to bases.
引用
收藏
页码：751 / 754
页数：4
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