2011
DOI: 10.1016/j.ijhydene.2011.05.187
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Effect of Zn/Co ratio in MOF-74 type materials containing exposed metal sites on their hydrogen adsorption behaviour and on their band gap energy

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Cited by 135 publications
(108 citation statements)
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“…Specifically, the OMS in the framework bind stronger olefins over paraffins. Several reports have recently demonstrated the potential use of M 2 (dobdc) compounds (M=Zn, Mn, Fe, Co, Ni; dobdc 4− = 2,5‐dioxido‐1,4‐benzenedicarboxylate) for the separation of light hydrocarbons, as well as for other gas separations . The members of M 2 (dobdc) series are likewise referred to as M–MOF‐74 and CPO‐27‐M.…”
Section: Introductionmentioning
confidence: 99%
“…Specifically, the OMS in the framework bind stronger olefins over paraffins. Several reports have recently demonstrated the potential use of M 2 (dobdc) compounds (M=Zn, Mn, Fe, Co, Ni; dobdc 4− = 2,5‐dioxido‐1,4‐benzenedicarboxylate) for the separation of light hydrocarbons, as well as for other gas separations . The members of M 2 (dobdc) series are likewise referred to as M–MOF‐74 and CPO‐27‐M.…”
Section: Introductionmentioning
confidence: 99%
“…15 The metal-organic framework CPO-27 (MOF-74) was first synthesized in 2005 20 and is still one of the most interesting MOFs due to several unique characteristics: highest concentration of open metal sites reported to date for MOFs, 21 very high surface area, and uniform 1D channels. Another attractive property of CPO-27 is the existence of a series of isostructural MOFs obtained by replacement of the metal atom, thus providing the unique possibility to investigate the influence of different metal ions (M = Zn, Co, Ni, Mg, Mn, Fe, Cu, Zn/Co, Mg/Ni, Cd) for adsorption properties, [20][21][22][23][24][25][26][27][28][29][30] as well as the possibility to expand the pore apertures of CPO-27 to an isoreticular series with pore apertures ranging from 14 Å to 98 Å, 31 and diverse possibilities for postsynthetic functionalization. 5,[32][33] CPO-27 is composed of M II ions generating linear, infinite-rod secondary building units (SBUs) bound by 2,5-dioxido-1,4-benzenedicarboxylate (DOBDC) ligands, resulting in a hexagonal, 1D pore structure (Fig.…”
Section: Introductionmentioning
confidence: 99%
“…63 We did perform GW calculations to obtain a better guess for the band gap, but those results overestimated the experimental band gap, suggesting that exciton effects play an important role in the optical properties of MOFs-as is not uncommon for organic materials. Solving the BetheSalpeter equation is beyond the scope of this study and we thus use our DFT results to express simple trends.…”
mentioning
confidence: 98%