Rational Design of a Low-Cost, High-Performance Metal–Organic Framework for Hydrogen Storage and Carbon Capture

[Image: see text] We present the in silico design of a MOF-74 analogue, hereon known as M(2)(DHFUMA) [M = Mg, Fe, Co, Ni, Zn], with enhanced small-molecule adsorption properties over the original M(2)(DOBDC) series. Constructed from 2,3-dihydroxyfumarate (DHFUMA), an aliphatic ligand which is smalle...

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Detalhes bibliográficos
Publicado no:J Phys Chem C Nanomater Interfaces
Main Authors: Witman, Matthew, Ling, Sanliang, Gladysiak, Andrzej, Stylianou, Kyriakos C., Smit, Berend, Slater, Ben, Haranczyk, Maciej
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2016
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5253711/
https://ncbi.nlm.nih.gov/pubmed/28127415
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcc.6b10363
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