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Condensation of supercritical hydrogen in nanoporous hydrogen storage materia...
This proposal builds on the success of our last INS experiment (RB1210041), which used TOSCA's new low energy capabilities to access and track the elastic line as well as the... -
INS examination of potential hydrogen spillover on pure and metal decorated m...
Metal oxides(MO) are widely used in technological applications especially for catalysts and supports for catalysts. We propose to use the inelastic response of H2 adsorbed on... -
Structural studies of nanoporous carbons and a carbon molecular sieve
This project determines the nanoscale structure of carbide derived carbon, as well as a carbon molecular sieve, by hybrid reverse Monte Carlo simulation. Our simulation will fit... -
Direct measurement of hydrogen storage capacities of nanoporous materials via...
Absolute hydrogen capacities of nanoporous storage materials cannot be accessed using conventional gas sorption experiments, but can be estimated by modelling experimental... -
Investigation of pore filling via pseudo-condensation of supercritical hydrog...
This proposal aims to use NIMROD to glean information on the mechanisms of pore filling and to obtain a quantitative absolute value for the density of supercritical hydrogen... -
Magnetic excitation in O2 supercrystal realized in nanoporous compound
We propose to perform neutron scattering experiment in a new field of science, magnetic O2 molecule supercrystal realized in nanoporous compound. In our previous work on... -
INS on H2 adsorbed in microporous L-Isoleucyl-L-valine.
We intend to perform an inelastic neutron scattering experiment on para-H2 adsorbed in L-Isoleucyl-L-valine (IV) microporous systems using the TOSCA spectrometer. IV is one of a... -
High-throughput computational screening of nanoporous adsorbents for CO 2 cap...
With the growth of natural gas as an energy source, upgrading CO2-contaminated supplies has become increasingly important. Here we develop a single metric that captures how well... -
ReDD-COFFEE: A ready-to-use database of covalent organic framework structures...
Covalent organic frameworks (COFs) are a versatile class of nanoporous materials that can be used for a broad range of applications. They possess strong covalent bonds and low... -
In Silico Design of Porous Polymer Networks: High Throughput Screening for Me...
Porous polymer networks (PPNs) are a class of advanced porous materials that combine the advantages of cheap and stable polymers with the high surface areas and tunable... -
Mail-order metal-organic frameworks (MOFs): designing isoreticular MOF-5 anal...
Metal–organic frameworks (MOFs), a class of porous materials, are of particular interest in gas storage and separation applications due largely to their high internal surface... -
In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage...
Here we present 69,840 covalent organic frameworks (COFs) assembled in silico from a set of 666 distinct organic linkers into 2D-layered and 3D configurations. We investigate... -
High-throughput computational screening of nanoporous adsorbents for CO 2 cap...
With the growth of natural gas as an energy source, upgrading CO2-contaminated supplies has become increasingly important. Here we develop a single metric that captures how well... -
In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage...
Here we present 69,840 covalent organic frameworks (COFs) assembled in silico from a set of 666 distinct organic linkers into 2D-layered and 3D configurations. We investigate... -
In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage...
Here we present 69,840 covalent organic frameworks (COFs) assembled in silico from a set of 666 distinct organic linkers into 2D-layered and 3D configurations. We investigate... -
Mail-order metal-organic frameworks (MOFs): designing isoreticular MOF-5 anal...
Metal–organic frameworks (MOFs), a class of porous materials, are of particular interest in gas storage and separation applications due largely to their high internal surface... -
Gas adsorption and process performance data for MOFs
Reticular chemistry provides materials designers with a practically infinite playground on different length scales. However, the space of all plausible materials for a given... -
In silico design of three-dimensional porous covalent organic frameworks via ...
Covalent organic frameworks (COFs) are a class of advanced nanoporous polymeric materials which combine the crystallinity of metal–organic frameworks (MOFs) with the stability...