author ="Gao, Wen-Yang and Pham, Tony and Forrest, Katherine A. and Space, Brian and Wojtas, Lukasz and Chen, Yu-Sheng and Ma, Shengqian",
title  ="The local electric field favours more than exposed nitrogen atoms on CO2 capture: a case study on the rht-type MOF platform",
journal  ="Chem. Commun.",
year  ="2015",
volume  ="51",
issue  ="47",
pages  ="9636-9639",
publisher  ="The Royal Society of Chemistry",
doi  ="10.1039/C5CC02573G",
url  ="http://dx.doi.org/10.1039/C5CC02573G",
abstract  ="Two rht-type metal-organic frameworks (MOFs) based upon the tetrazolate moiety and pyrazolate moiety{,} respectively{,} have been investigated for carbon dioxide (CO2) adsorption and selective adsorption of CO2 over CH4{,} which shows that the rht-MOF featuring the pyrazolate moiety demonstrates superior performances compared to the rht-MOF based on the tetrazolate moiety. In spite of more exposed nitrogen atoms in the tetrazolate-based rht-MOF{,} the counter-intuitive observations of CO2 capture in the two rht-MOFs were interpreted by computational studies{,} which reveal that the local electric field favours more than the richness of exposed nitrogen atoms for the interactions with CO2 molecules."}