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Updated: Jul 11, 2025

Neutron Crystallography Data Collection and Processing for Modelling Hydrogen Atoms in Protein Structures
Published on: December 1, 2020
Molecular specificity in neutron imaging: the case of hydrogen adsorption in metal organic frameworks
Margherita Simoni1, Triestino Minniti1, Roberto Senesi1,2
1Department of Physics and NAST Centre, Università degli Studi di Roma Tor Vergata, 00133, Roma, Italy. giovanni.romanelli@uniroma2.it.
Abstract:
Neutron imaging is the technique of choice for a number of in situ and operando applications, where a high penetration power is required. White-beam neutron imaging and energy-resolved Bragg edge imaging are successful techniques, the former for the detection of specific elements characterized by strong neutron attenuation and the latter for studying crystal structures. Here we discuss the capabilities of energy-selective neutron imaging taking advantage of the incoherent and inelastic scattering interactions in hydrogenous materials, as a way to obtain molecular-specific information about the composition of a given sample. While few examples from the available literature are discussed, a worked example is presented based on new experimental data on molecular-hydrogen adsorption and conversion in the HKUST-1 metal organic framework.
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