메뉴 건너뛰기




Volumn 119, Issue 41, 2015, Pages 23592-23598

Highly Selective CO2 Capture by Small Pore Scandium-Based Metal-Organic Frameworks

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CRYSTALLINE MATERIALS; ORGANOMETALLICS; PHYSISORPTION; SCANDIUM;

EID: 84944385075     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b07903     Document Type: Article
Times cited : (37)

References (31)
  • 1
    • 84863012686 scopus 로고    scopus 로고
    • Themed Collection of Metal-Organic Frameworks
    • Zhou, H.-C.; Long, J. R.; Yaghi, O. M. Themed Collection of Metal-Organic Frameworks Chem. Rev. 2012, 112, 673
    • (2012) Chem. Rev. , vol.112 , pp. 673
    • Zhou, H.-C.1    Long, J.R.2    Yaghi, O.M.3
  • 3
    • 84856953854 scopus 로고    scopus 로고
    • Synthesis of Metal-Organic Frameworks (MOFs): Routes to Various MOF Topologies, Morphologies, and Composites
    • Stock, N.; Biswas, S. Synthesis of Metal-Organic Frameworks (MOFs): Routes to Various MOF Topologies, Morphologies, and Composites Chem. Rev. 2012, 112, 933-969 10.1021/cr200304e
    • (2012) Chem. Rev. , vol.112 , pp. 933-969
    • Stock, N.1    Biswas, S.2
  • 8
    • 84885587686 scopus 로고    scopus 로고
    • Development of Computational Methodologies for Metal-Organic Frameworks and Their Application in Gas Separations
    • Yang, Q.; Liu, D.; Zhong, C.; Li, J. R. Development of Computational Methodologies for Metal-Organic Frameworks and Their Application in Gas Separations Chem. Rev. 2013, 113, 8261-8323 10.1021/cr400005f
    • (2013) Chem. Rev. , vol.113 , pp. 8261-8323
    • Yang, Q.1    Liu, D.2    Zhong, C.3    Li, J.R.4
  • 9
    • 84904744894 scopus 로고    scopus 로고
    • High-Throughput Computational Screening of Metal-Organic Frameworks
    • Colon, Y. J.; Snurr, R. Q. High-Throughput Computational Screening of Metal-Organic Frameworks Chem. Soc. Rev. 2014, 43, 5735-5749 10.1039/C4CS00070F
    • (2014) Chem. Soc. Rev. , vol.43 , pp. 5735-5749
    • Colon, Y.J.1    Snurr, R.Q.2
  • 11
    • 15344345714 scopus 로고    scopus 로고
    • QUICKSTEP: Fast and Accurate Density Functional Calculations Using a Mixed Gaussian and Plane Waves Approach
    • VandeVondele, J.; Krack, M.; Mohamed, F.; Parrinello, M.; Chassaing, T.; Hutter, J. QUICKSTEP: Fast and Accurate Density Functional Calculations Using a Mixed Gaussian and Plane Waves Approach Comput. Phys. Commun. 2005, 167, 103-128 10.1016/j.cpc.2004.12.014
    • (2005) Comput. Phys. Commun. , vol.167 , pp. 103-128
    • VandeVondele, J.1    Krack, M.2    Mohamed, F.3    Parrinello, M.4    Chassaing, T.5    Hutter, J.6
  • 12
    • 0037426171 scopus 로고    scopus 로고
    • An Efficient Orbital Transformation Method for Electronic Structure Calculations
    • VandeVondele, J.; Hutter, J. An Efficient Orbital Transformation Method for Electronic Structure Calculations J. Chem. Phys. 2003, 118, 4365-4369 10.1063/1.1543154
    • (2003) J. Chem. Phys. , vol.118 , pp. 4365-4369
    • VandeVondele, J.1    Hutter, J.2
  • 13
    • 0033262620 scopus 로고    scopus 로고
    • The Gaussian and Augmented-Plane-Wave Density Functional Method for Ab Initio Molecular Dynamics Simulations
    • Lippert, G.; Hutter, J.; Parrinello, M. The Gaussian and Augmented-Plane-Wave Density Functional Method for Ab Initio Molecular Dynamics Simulations Theor. Chem. Acc. 1999, 103, 124-140 10.1007/s002140050523
    • (1999) Theor. Chem. Acc. , vol.103 , pp. 124-140
    • Lippert, G.1    Hutter, J.2    Parrinello, M.3
  • 14
    • 0000620023 scopus 로고    scopus 로고
    • A Hybrid Gaussian and Plane Wave Density Functional Scheme
    • Lippert, G.; Parrinello, M.; Hutter, J. A Hybrid Gaussian and Plane Wave Density Functional Scheme Mol. Phys. 1997, 92, 477-488 10.1080/002689797170220
    • (1997) Mol. Phys. , vol.92 , pp. 477-488
    • Lippert, G.1    Parrinello, M.2    Hutter, J.3
  • 15
    • 5944261746 scopus 로고
    • Density-Functional Approximation for the Correlation-Energy of the Inhomogeneous Electron-Gas
    • Perdew, J. P. Density-Functional Approximation for the Correlation-Energy of the Inhomogeneous Electron-Gas Phys. Rev. B 1986, 33, 8822-8824 10.1103/PhysRevB.33.8822
    • (1986) Phys. Rev. B , vol.33 , pp. 8822-8824
    • Perdew, J.P.1
  • 16
    • 34648843516 scopus 로고    scopus 로고
    • Gaussian Basis Sets for Accurate Calculations on Molecular Systems in Gas and Condensed Phases
    • VandeVondele, J.; Hutter, J. Gaussian Basis Sets for Accurate Calculations on Molecular Systems in Gas and Condensed Phases J. Chem. Phys. 2007, 127, 114105 10.1063/1.2770708
    • (2007) J. Chem. Phys. , vol.127 , pp. 114105
    • VandeVondele, J.1    Hutter, J.2
  • 17
    • 77951680464 scopus 로고    scopus 로고
    • A Consistent and Accurate Ab Initio Parametrization of Density Functional Dispersion Correction (DFT-D) for the 94 Elements H-Pu
    • Grimme, S.; Antony, J.; Ehrlich, S.; Krieg, H. A Consistent and Accurate Ab Initio Parametrization of Density Functional Dispersion Correction (DFT-D) for the 94 Elements H-Pu J. Chem. Phys. 2010, 132, 154104 10.1063/1.3382344
    • (2010) J. Chem. Phys. , vol.132 , pp. 154104
    • Grimme, S.1    Antony, J.2    Ehrlich, S.3    Krieg, H.4
  • 18
    • 33749683984 scopus 로고    scopus 로고
    • Molecular Simulation of Carbon Dioxide/Methane/Hydrogen Mixture Adsorption in Metal-Organic Frameworks
    • Yang, Q.; Zhong, C. Molecular Simulation of Carbon Dioxide/Methane/Hydrogen Mixture Adsorption in Metal-Organic Frameworks J. Phys. Chem. B 2006, 110, 17776-17783 10.1021/jp062723w
    • (2006) J. Phys. Chem. B , vol.110 , pp. 17776-17783
    • Yang, Q.1    Zhong, C.2
  • 19
    • 0042041206 scopus 로고
    • UFF, a Full Periodic-Table Force-Field for Molecular Mechanics and Molecular-Dynamics Simulations
    • Rappe, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A.; Skiff, W. M. UFF, a Full Periodic-Table Force-Field for Molecular Mechanics and Molecular-Dynamics Simulations J. Am. Chem. Soc. 1992, 114, 10024-10035 10.1021/ja00051a040
    • (1992) J. Am. Chem. Soc. , vol.114 , pp. 10024-10035
    • Rappe, A.K.1    Casewit, C.J.2    Colwell, K.S.3    Goddard, W.A.4    Skiff, W.M.5
  • 20
    • 0001061046 scopus 로고    scopus 로고
    • Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes
    • Martin, M. G.; Siepmann, J. I. Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes J. Phys. Chem. B 1998, 102, 2569-2577 10.1021/jp972543+
    • (1998) J. Phys. Chem. B , vol.102 , pp. 2569-2577
    • Martin, M.G.1    Siepmann, J.I.2
  • 21
    • 13444281787 scopus 로고
    • Carbon Dioxide's Liquid-Vapor Coexistence Curve and Critical Properties as Predicted by a Simple Molecular Model
    • Harris, J. G.; Yung, K. Carbon Dioxide's Liquid-Vapor Coexistence Curve and Critical Properties as Predicted by a Simple Molecular Model J. Phys. Chem. 1995, 99, 12021-12024 10.1021/j100031a034
    • (1995) J. Phys. Chem. , vol.99 , pp. 12021-12024
    • Harris, J.G.1    Yung, K.2
  • 22
    • 55149106542 scopus 로고    scopus 로고
    • Computing the Heat of Adsorption Using Molecular Simulations: The Effect of Strong Coulombic Interactions
    • Vlugt, T. J. H.; Garcia-Perez, E.; Dubbeldam, D.; Ban, S.; Calero, S. Computing the Heat of Adsorption Using Molecular Simulations: The Effect of Strong Coulombic Interactions J. Chem. Theory Comput. 2008, 4, 1107-1118 10.1021/ct700342k
    • (2008) J. Chem. Theory Comput. , vol.4 , pp. 1107-1118
    • Vlugt, T.J.H.1    Garcia-Perez, E.2    Dubbeldam, D.3    Ban, S.4    Calero, S.5
  • 23
    • 84873635241 scopus 로고    scopus 로고
    • An Adsorbent Performance Indicator as a First Step Evaluation of Novel Sorbents for Gas Separations: Application to Metal-Organic Frameworks
    • Wiersum, A. D.; Chang, J. S.; Serre, C.; Llewellyn, P. L. An Adsorbent Performance Indicator as a First Step Evaluation of Novel Sorbents for Gas Separations: Application to Metal-Organic Frameworks Langmuir 2013, 29, 3301-3309 10.1021/la3044329
    • (2013) Langmuir , vol.29 , pp. 3301-3309
    • Wiersum, A.D.1    Chang, J.S.2    Serre, C.3    Llewellyn, P.L.4
  • 25
    • 84873692806 scopus 로고    scopus 로고
    • Experimental Screening of Porous Materials for High Pressure Gas Adsorption and Evaluation in Gas Separations: Application to MOFs (MIL-100 and CAU-10)
    • Wiersum, A. D.; Giovannangeli, C.; Vincent, D.; Bloch, E.; Reinsch, H.; Stock, N.; Lee, J. S.; Chang, J. S.; Llewellyn, P. L. Experimental Screening of Porous Materials for High Pressure Gas Adsorption and Evaluation in Gas Separations: Application to MOFs (MIL-100 and CAU-10) ACS Comb. Sci. 2013, 15, 111-119 10.1021/co300128w
    • (2013) ACS Comb. Sci. , vol.15 , pp. 111-119
    • Wiersum, A.D.1    Giovannangeli, C.2    Vincent, D.3    Bloch, E.4    Reinsch, H.5    Stock, N.6    Lee, J.S.7    Chang, J.S.8    Llewellyn, P.L.9
  • 26
    • 17544373495 scopus 로고    scopus 로고
    • Gas Adsorption Microcalorimetry and Modelling to Characterise Zeolites and Related Materials
    • Llewellyn, P. L.; Maurin, G. Gas Adsorption Microcalorimetry and Modelling to Characterise Zeolites and Related Materials C. R. Chim. 2005, 8, 283-302 10.1016/j.crci.2004.11.004
    • (2005) C. R. Chim. , vol.8 , pp. 283-302
    • Llewellyn, P.L.1    Maurin, G.2
  • 28
    • 56749098276 scopus 로고    scopus 로고
    • Structural Transformations and Adsorption of Fuel-Related Gases of a Structurally Responsive Nickel Phosphonate Metal-Organic Framework, Ni-STA-12
    • Miller, S. R.; Pearce, G. M.; Wright, P. A.; Bonino, F.; Chavan, S.; Bordiga, S.; Margiolaki, I.; Guillou, N.; Férey, G.; Bourrelly, S. et al. Structural Transformations and Adsorption of Fuel-Related Gases of a Structurally Responsive Nickel Phosphonate Metal-Organic Framework, Ni-STA-12 J. Am. Chem. Soc. 2008, 130, 15967-15981 10.1021/ja804936z
    • (2008) J. Am. Chem. Soc. , vol.130 , pp. 15967-15981
    • Miller, S.R.1    Pearce, G.M.2    Wright, P.A.3    Bonino, F.4    Chavan, S.5    Bordiga, S.6    Margiolaki, I.7    Guillou, N.8    Férey, G.9    Bourrelly, S.10
  • 31
    • 80051766845 scopus 로고    scopus 로고
    • Functionalizing Porous Zirconium Terephthalate UIO-66(Zr) for Natural Gas Upgrading: A Computational Exploration
    • Yang, Q. Y.; Wiersum, A. D.; Llewellyn, P. L.; Guillerm, V.; Serre, C.; Maurin, G. Functionalizing Porous Zirconium Terephthalate UIO-66(Zr) for Natural Gas Upgrading: A Computational Exploration Chem. Commun. 2011, 47, 9603-9605 10.1039/c1cc13543k
    • (2011) Chem. Commun. , vol.47 , pp. 9603-9605
    • Yang, Q.Y.1    Wiersum, A.D.2    Llewellyn, P.L.3    Guillerm, V.4    Serre, C.5    Maurin, G.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.