-
Determination of the hydrogen adsorption sites for Mg and Zn formates
In the framework of the FIRENZE HYDROLAB research project(http://www.iccom.cnr.it/hydrolab/), a number of polymeric metal formates has been synthesized,with interesting... -
Ordering phenomena and magnetic phase transitions in Mn2TeO6
Our aim is to study with high resolution neutron powder diffraction the two orthorhombic phases of Mn2TeO6 at RT, so as to understand the origin of the observed structural... -
Discriminating adsorption sites in the coordinatively unstaurated 3d metal io...
Using chemically different substances as co-adsorbates allows one to block certain types of adsorption sites in a given porous material or even on a surface. This can be very... -
Effect of the MOF pore structure upon coordinatively unsaturated Cu centres.
Metal-organic frameworks are an exciting class of porous and crystalline materials exhibiting exceptional sorption properties. The growing interest in the community lies in the... -
Investigation of the magnetism and multiferroic properties in the MOF Cu--gua...
Multiferroic materials which exhibit both ferroelectric and (anti)ferromagnetic ordering are of great technological importance offering the potential for the design of novel... -
Determination of the H-H bond lenght of H2/CuBTC MOF (SANDALS)
The rotational line of hydrogen is very clearly measured with TOSCA. For the past few years I have noticed that the changes in the position of the rotational line do not follow... -
Neutron scattering studies of hydrogen rotational transitions in Ni-MOF-74
We propose to use MARI to look at the full rotational spectrum of H2 in Ni-MOF-74 obtaining the full momentum distribution for H2 only at the Ni metal site and one with partial... -
Investigating the effect of pore structure upon interactions of hydrogen with...
Three MOFs samples with high hydrogen storage capacities at 77K, and high surface area, are willing to be analyzed. In order to investigate hydrogen interactions within the... -
Investigating the Structure of Lithium Doped Metal-Organic Framework Glasses
Zeolitic imidazolate frameworks (ZIFs), a sub-family of MOFs, have recently been observed to melt, with the liquid surprisingly retaining the chemical composition of the... -
Vibrational shifts of CO2 captured in metal-organic frameworks
High surface area, functionalized metal-organic frameworks (MOF) have been shown to not only capture CO2, but to selectively do so over other gases like nitrogen. There are both... -
Vibrational Densities of States from Amorphous Nanocomposites for Novel Drug ...
In the current proposal, we require TOSCA to investigate by vibrational spectroscopy the apparent amorphous nature of the prototype drug molecule ibuprofen confined by... -
Effect of Pressure on the Structure and Dynamics of Titanium Tetrachloride
At ambient pressure TiCl4 forms a molecular solid consisting of isolated TiCl4 molecules (phase-I). At 0.5 GPa this structure undergoes a transition to phase-II, which is... -
QENS Analysis of Proton Diffusion in Functional Metal-Organic Frameworks
The development of new functional metal-organic frameworks (MOFs) as complex proton conductor is receiving increasing attention worldwide. We aim to develop new solid proton... -
Vibrational spectra of acetylene in a novel iron metal-organic framework for ...
The energy costs associated with large-scale industrial separation of light hydrocarbons by cryogenic distillation could potentially be lowered through development of selective... -
CO2 adsorption selectivity in microporous MOF's based on Cu2 paddle-wheels
Metal-organic framework (MOF) materials are a kind of inorganic-organic hybrid materials with a open modular molecular architecture. Such a modularity opens a plethora of... -
Determination of the location of molecular hydrogen trapped within a metal-or...
An interesting In(III)-framework has been synthesized at the University of Nottingham by the group of research of Martin Schroder. This metal-organic framework is based on... -
Optical absorption properties of metal-organic frameworks: solid state versus...
The vast chemical space of metal and ligand combinations in Transition Metal Complexes (TMCs) gives rise to a rich variety of electronic excited states with local and non-local... -
Pyrene-based metal organic frameworks
Pyrene is one of the most widely investigated aromatic hydrocarbons due to its unique optical and electronic properties. Hence, pyrene-based ligands have been investigated for... -
Energy-based Descriptors for Photo-Catalytically Active Metal-Organic Framewo...
Metal-organic frameworks (MOFs) consist of metal nodes that are connected by organic linkers. They are thus highly chemically tunable materials given the broad range of... -
Charge separation and charge carrier mobility in photocatalytic metal-organic...
Metal-Organic Frameworks (MOFs) are highly versatile materials owing to their vast structural and chemical tunability. These hybrid inorganic-organic crystalline materials offer...