Computational screening study towards redox-active metal-organic frameworks
نویسندگان
چکیده
منابع مشابه
High-throughput computational screening of metal-organic frameworks.
There is an almost unlimited number of metal-organic frameworks (MOFs). This creates exciting opportunities but also poses a problem: how do we quickly find the best MOFs for a given application? Molecular simulations have advanced sufficiently that many MOF properties - especially structural and gas adsorption properties - can be predicted computationally, and molecular modeling techniques are...
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A number of redox-active coordination polymers (CPs) or metal- organic frameworks (MOFs) have been successfully synthesized using transition metals and bridging ligands. This article aims to deal with gathering the aforementioned disperse issues regarding the electroactive CPs. It also goes towards illustrating the effects of various factors on the electrochemical behavior of CPs including...
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ژورنال
عنوان ژورنال: New Journal of Physics
سال: 2013
ISSN: 1367-2630
DOI: 10.1088/1367-2630/15/11/115004