02047nas a2200205   4500008004100000022001400041245013100055210006900186260010600255300001600361490000700377520119900384653001901583653002401602653002101626653002901647100002401676700001601700856012501716       2010                        eng d  a0360-319900aModel study of effect of M = Li+, Na+, Be2+, Mg2+, and Al3+ ion decoration on hydrogen adsorption of metal-organic framework-50 aModel study of effect of M Li Na Be2 Mg2 and Al3 ion decoration   aTHE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLANDbPERGAMON-ELSEVIER SCIENCE LTDcDEC  a12846-128570 v353 a<p>The effect of light metal ion decoration of the organic linker in metal organic framework MOF 5 on its hydrogen adsorption with respect to its hydrogen binding energy (Delta B E) and gravimetric storage capacity is examined theoretically by employing models of the form MC6H6 nH(2) where M = Li+ Na+ Be2+ Mg2+ and Al3+ A systematic investigation of the suitability of DFT functionals for studying such systems is also carried out Our results show that the interaction energy (Delta E) of the metal ion M with the benzene ring Delta B E and charge transfer (Q(trans)) from the metal to benzene ring exhibit the same increasing order Na+ &lt; Li+ &lt; Mg2+ &lt; Be2+ &lt; Al3+ Organic hnker decoration with the above metal ions strengthened H-2 MOF 5 interactions relative to its pure state However amongst these ions only Mg2+ ion resulted in Delta B E magnitudes that were optimal for allowing room temperature hydrogen storage applications of MOF 5 A much higher gravimetric storage capacity (6 15 wt % H-2) is also predicted for Mg2+ decorated MOF 5 as compared to both pure MOF 5 and Li+ decorated MOF (C) 2010 Professor T Nejat Veziroglu Published by Elsevier Ltd All rights reserved</p>10aBinding energy10aHydrogen adsorption10aHydrogen storage10aMetal organic frameworks1 aMaark, Tuhina, Adit1 aPal, Sourav  uhttps://library.ncl.res.in/content/model-study-effect-m-li-na-be2-mg2-and-al3-ion-decoration-hydrogen-adsorption-metal-002288nas a2200253   4500008004100000022001400041245005500055210005500110260011000165300001400275490000700289520142600296653003001722653002701752653002101779653002901800653001601829653002301845100002001868700001901888700001801907700002001925856008901945       2012                        eng d  a0376-471000aCarbon dioxide capture by metal organic frameworks0 aCarbon dioxide capture by metal organic frameworks  aDR K S KRISHNAN MARG, PUSA CAMPUS, NEW DELHI 110 012, INDIAbNATL INST SCIENCE COMMUNICATION-NISCAIRcSEP  a1223-12300 v513 a<p>The design and synthesis of functionalized metal organic framework materials (MOFs) for reversible physisorption of CO2 is discussed. This strategy of CO2 adsorption in MOFs requires less energy for regeneration than materials relying on chemisorption. As a result the MOFs have received considerable attention as sorbent materials for strategic gases such as CO2 and H,. In this review, we have discussed different MOFs and hybrid materials containing MOFs which can adsorb CO2 at room temperature. In order to achieve high adsorption capacity, fast CO2 adsorption-desorption and low energy requirement for regeneration are necessary. Several avenues for increasing the CO2 adsorption capacity of such materials, for instance, introduction of open metal sites and the use of ligand molecules with specific functionalities (like -OH or -NH2) have been described. It has been observed that CO2 loading capacity of MOFs increases with functionalization. Herein, we have discussed how N-containing and fluorinated MOFs are designed to achieve higher CO2 loading than their non-functionalized counterparts. Nanocarbons (e.g. carbon nanotubes, carbon nanofibres, etc.) are porous materials and a blend of these porous materials with porous MOFs or porous carbon derived from MOFs may act as a better adsorbate than even the pure materials. Enhancement of CO2 loading by nanocarbon-MOF hybrid material is also discussed.</p>10aCarbon dioxide adsorbents10aCarbon dioxide capture10ahybrid materials10aMetal organic frameworks10aNanocarbons10aPorous nanocarbons1 aSaha, Subhadeep1 aChandra, Suman1 aGarai, Bikash1 aBanerjee, Rahul  uhttps://library.ncl.res.in/content/carbon-dioxide-capture-metal-organic-frameworks-0