Search Results - "Klontzas, Emmanouel"

Designing 3D COFs with Enhanced Hydrogen Storage Capacity by Klontzas, Emmanouel, Tylianakis, Emmanuel, Froudakis, George E

“…Hydrogen storage properties have been studied on newly designed three-dimensional covalent−organic framework (3D-COF). The design of these materials was based…”
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Multi-scale theoretical investigation of hydrogen storage in covalent organic frameworks by Tylianakis, Emmanuel, Klontzas, Emmanouel, Froudakis, George E

“…The quest for efficient hydrogen storage materials has been the limiting step towards the commercialization of hydrogen as an energy carrier and has attracted…”
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Improving Hydrogen Storage Capacity of MOF by Functionalization of the Organic Linker with Lithium Atoms by Klontzas, Emmanouel, Mavrandonakis, Andreas, Tylianakis, Emmanuel, Froudakis, George E

“…A combination of quantum and classical calculations have been performed in order to investigate hydrogen storage in metal−organic frameworks (MOFs) modified by…”
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Hydrogen Storage in 3D Covalent Organic Frameworks. A Multiscale Theoretical Investigation by Klontzas, Emmanouel, Tylianakis, Emmanuel, Froudakis, George E

“…A multiscale theoretical approach is used for the investigation of hydrogen storage in three-dimensional covalent organic frameworks (3D-COFs). First, ab…”
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Hydrogen Storage in Lithium-Functionalized 3-D Covalent-Organic Framework Materials by Klontzas, Emmanouel, Tylianakis, Emmanuel, Froudakis, George E

“…To enhance the hydrogen storage ability of covalent-organic framework materials (COFs), we have studied the insertion of lithium alkoxide groups in these…”
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Formation, Fragmentation, and Structures of YxOy(+) (x = 1, 2, y = 1 - 13) Clusters: Collision-Induced Dissociation Experiments and Density Functional Theory Calculations by Glodić, Pavle, Mihesan, Claudia, Klontzas, Emmanouel, Velegrakis, Michalis

“…Yttrium oxide cluster cations have been experimentally and theoretically studied. We produced small, oxygen-rich yttrium oxide clusters, YxOy+ (x = 1, 2, y =…”
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Enhancement of Hydrogen Adsorption in Metal−Organic Frameworks by the Incorporation of the Sulfonate Group and Li Cations. A Multiscale Computational Study by Mavrandonakis, Andreas, Klontzas, Emmanouel, Tylianakis, Emmanuel, Froudakis, George E

“…By means of ab initio methods, the effect on the H2 storage ability of a newly proposed organic linker for IRMOF-14 has been studied. The linker comprises a…”
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Formation, Fragmentation, and Structures of Y x O y + (x = 1, 2, y = 1 – 13) Clusters: Collision-Induced Dissociation Experiments and Density Functional Theory Calculations by Glodić, Pavle, Mihesan, Claudia, Klontzas, Emmanouel, Velegrakis, Michalis

“…Yttrium oxide cluster cations have been experimentally and theoretically studied. We produced small, oxygen-rich yttrium oxide clusters, Y x O y + (x = 1, 2, y…”
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Formation, Fragmentation, and Structures of Y sub(x)O sub(y) super(+) (x = 1, 2, y = 1 - 13) Clusters: Collision-Induced Dissociation Experiments and Density Functional Theory Calculations by Glodic, Pavle, Mihesan, Claudia, Klontzas, Emmanouel, Velegrakis, Michalis

“…Yttrium oxide cluster cations have been experimentally and theoretically studied. We produced small, oxygen-rich yttrium oxide clusters, Y sub(x)O sub(y)…”
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On the Enhancement of Molecular Hydrogen Interactions in Nanoporous Solids for Improved Hydrogen Storage by Klontzas, Emmanouel, Tylianakis, Emmanuel, Froudakis, George E

“…The need for a transition toward sustainable and environmentally friendly energy sources seems to be very important nowadays. Hydrogen is being investigated as…”
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Hydrogen Storage in Novel Li-Doped Corrole Metal-Organic Frameworks by Stergiannakos, Taxiarchis, Tylianakis, Emmanuel, Klontzas, Emmanouel, Trikalitis, Pantelis N, Froudakis, George E

“…A new metal-organic framework (MOF) has been designed based on a carboxy functionalized corrole ligand acting as a building block. The H2 storage properties of…”
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The effect of structural and energetic parameters of MOFs and COFs towards the improvement of their hydrogen storage properties by Tylianakis, Emmanuel, Klontzas, Emmanouel, Froudakis, George E

“…Open-framework materials have been proposed as potential materials for hydrogen storage. Metal-organic framework (MOF) and covalent-organic framework (COF)…”
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Enhancement of Hydrogen Adsorption in Metal−Organic Frameworks by Mg2+ Functionalization: A Multiscale Computational Study by Stergiannakos, Taxiarchis, Tylianakis, Emmanuel, Klontzas, Emmanouel, Froudakis, George E

“…By means of multiscale theoretical techniques, we examined the ability of Mg2+ to enhance H2 storage in metal−organic frameworks. Ab initio calculations showed…”
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Enhancement of Hydrogen Adsorption in Metal−Organic Frameworks by Mg 2+ Functionalization: A Multiscale Computational Study by Stergiannakos, Taxiarchis, Tylianakis, Emmanuel, Klontzas, Emmanouel, Froudakis, George E.

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Nanocomposites of polystyrene- b-polyisoprene copolymer with layered silicates and carbon nanotubes by Litina, Kiriaki, Miriouni, Androniki, Gournis, Dimitrios, Karakassides, Michael A., Georgiou, Nikolaos, Klontzas, Emmanouel, Ntoukas, Eleftherios, Avgeropoulos, Apostolos

“…Nanocomposites of polystyrene- b-polyisoprene (PS- b-PI) copolymer with layered-smectite clays (organically modified montmorillonite) and nanostructured…”
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