2014
DOI: 10.1039/c4sc02064b
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Comprehensive study of carbon dioxide adsorption in the metal–organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)

Abstract: Comprehensive study of carbon dioxide adsorption in the metal-organic frameworks M 2 (dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)The results reveal important, molecular level detail of CO 2 binding in a prominent family of Metal-Organic Frameworks whose adsorption properties can be readily tuned with metal-substitution. This information, which is of signifi cant importance in the context of carbon capture, allows us to make a detailed comparison with DFT calculations; theoretical results show excellent agreement w… Show more

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Cited by 377 publications
(484 citation statements)
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“…In addition, MOFs with high capacity for CO 2 at high pressure will not often perform well at low pressure (Yazaydin et al 2009). Series of metal-organic frameworks M(DOBDC) (M = Mg, Mn, Fe, Co, Ni, Cu and Zn; dobdc 4-= 2,5-dioxido-1,4-benzenedicarboxylate) has a great potential for adsorption of CO 2 (Queen et al 2014). Mg/DOBDC is one of the most efficiently known CO 2 adsorbents at the low to moderate CO 2 partial pressure but has some difficulties in regeneration for cyclic operation (Choi et al 2012).…”
Section: Selective Adsorption Of Co 2 By Metal-organic Framework (Mofs)mentioning
confidence: 99%
“…In addition, MOFs with high capacity for CO 2 at high pressure will not often perform well at low pressure (Yazaydin et al 2009). Series of metal-organic frameworks M(DOBDC) (M = Mg, Mn, Fe, Co, Ni, Cu and Zn; dobdc 4-= 2,5-dioxido-1,4-benzenedicarboxylate) has a great potential for adsorption of CO 2 (Queen et al 2014). Mg/DOBDC is one of the most efficiently known CO 2 adsorbents at the low to moderate CO 2 partial pressure but has some difficulties in regeneration for cyclic operation (Choi et al 2012).…”
Section: Selective Adsorption Of Co 2 By Metal-organic Framework (Mofs)mentioning
confidence: 99%
“…[ 68 ] Since these studies of CO 2 adsorption in Mg 2 (dobdc), several combined experimental and theoretical approaches have been taken to identify the host-guest interactions that lead to signifi cant differences in isosteric heats among all of the metal-substituted analogs in the M 2 (dobdc) series. [ 54,69 ] Among those members, isosteric heats of adsorption ( Figure 3 ) follow a trend (Mg > Ni > Co > Fe > Mn > Zn >Cu) that unexpectedly does not correlate with the ionic radii. [ 68 ] A recent study by Yu [ 54 ] gives an explanation for the observed trend through a description of nuclear screening effects by M 2+ d-orbitals.…”
Section: Co 2 Adsorption In the M 2 (Dobdc) Seriesmentioning
confidence: 99%
“…Ball and stick model of M 2 (dobdc) structure): reproduced with permission. [ 69 ] Copyright 2014, The Royal Society of Chemistry. …”
Section: Mofs With Open Metal Coordination Sitesmentioning
confidence: 99%
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