Exploring Group III-Nitride based Nanomaterials for CO2 Capture via Theoretical Modeling
Introduction In response to the increasing crisis of global warming, the capture and storage of carbon dioxide (CO2) will be an essential technology in the context of energy and environment 1. Recently, covalent bonds are found to be formed between the nitrogen atoms of azabenzene and CO2 when extra electrons are present 2. The implication is that a structure with incorporated nitrogen atoms possessing a significant negative charge might potentially form a chemical bond with carbon dioxide—with potential ramifications for CO2 capture applications. It is well known that group-III nitride materials, e.g. aluminium nitride (AlN) are highly ionic and thus it is expected that N sites in AlN nanostructures that might play an important role in the adsorption of CO2. This work will present theoretical studies of CO2 adsorption on AlN based nanomaterials.
Yan Jiao Aijun Du Zhonghua Zhu Victor Rudolph Max Lu Sean Smith
Centre for Computational Molecular Science, Australian Institute for Bioengineering and Nanotechnolo School of Chemical Engineering, the University of Queensland, QLD 4072,Brisbane, Australia ARC Centre of Excellence for Functional Nanomaterials, Australian Institute for Bioengineering and N
国际会议
6th International Conference on Environmental Catalysis(第六届国际环境催化大会 ICEC 2010)
北京
英文
142-142
2010-09-12（万方平台首次上网日期，不代表论文的发表时间）