Interaction Mechanism of CO2 Ambient Adsorption on Transition-Metal-Coated Boron Sheets

被引：14
|
作者：
Truong Ba Tai [1 ]
Minh Tho Nguyen [1 ,2 ]
机构：
[1] Univ Louvain, Dept Chem, B-3001 Louvain, Belgium
[2] Inst Computat Sci & Technol HoChiMinh City ICST, QuangTrung Software Ctr, Ho Chi Minh City, Vietnam
来源：
CHEMISTRY-A EUROPEAN JOURNAL | 2013年 / 19卷 / 09期
关键词：
adsorption; boron; carbon dioxide; chemisorption; density functional calculations; 2-DIMENSIONAL BORON; CARBON-DIOXIDE; ORGANIC FRAMEWORKS; NANOTUBE BUNDLES; CAPTURE;
D O I：
10.1002/chem.201203664
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Getting attached: Ca- and Sc-coated α-boron sheets are excellent absorbents for ambient CO2 capture with remarkably high adsorption energies (Eads) up to 3.0 eV (see figure). More importantly, the interaction mechanism between Sc and boron substrate and CO2 in chemisorption configurations is nonclassical and emerges in a two-step process. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
引用
收藏
页码：2942 / 2946
页数：5
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