Themed collection Neutron Scattering in Catalysis and Energy Materials

This themed collection focuses on the use of neutron scattering to interrogate catalysts and materials used in energy storage. Neutrons are a powerful and unique probe that allow characterisation of these experimentally challenging systems in multiple ways.

This perspective article reviews the different types of quantum and classical mechanical methods that have been implemented to interpret the INS spectra for H₂ adsorbed in porous materials.

Aliphatic rather than aromatic carbonaceous species was identified to be the dominating coke on spent bimetallic Ni(Co)/Al₂O₃ which exhibited enhanced dry reforming performance.

To assess the effect of counterion presence on NH₃ mobility in commercial automotive emission control zeolite catalysts, NH₃ mobility in NH₃-SCR catalyst Cu-CHA was compared with H-CHA using quasielastic neutron scattering and molecular dynamics simulations.

Combining in situ neutron scattering and vibrational spectroscopy studies to elucidate the mechanism of ethanol dehydration in SAPO-34 catalysts.

The diffusion of methanol in zeolite HY is studied using tandem quasielastic neutron scattering (QENS) experiments and molecular dynamics (MD) simulations at 300–400 K.

IR, INS, DFT, XRD and TPD are used to deduce how methyl propanoate interacts with a silica surface.

Interaction of molecular hydrogen with the surface of the ortho–para conversion catalyst.

Inelastic neutron scattering of Cu-based methanol synthesis catalysts revealed that the surface coverage after reaction depends on the support oxide.

Inelastic neutron scattering was used to study the adsorbed species at a catalyst's surface and assess product selectivity and confirm a mechanistic proposal.

The melting of the substituted fullerene PCBM is driven by the tail, not the head.

INS experiments and DFT calculations allow identifying rotational constraints of organic molecules occluded in zeolite micropores.

Imaging, spectroscopy and computation show that 1-dodecanethiol forms largely ordered 1-dodecanethiolate on the surface of palladium nanoparticles.

A series of ruthenium catalysts supported on two different carbons were tested for the hydrogenation of lactic acid to 1,2-propanediol and butanone to 2-butanol.

Total neutron scattering has been used to follow the hydrogenation of toluene-d₈ to methylcyclohexane-d₁₄ over 3 wt% platinum supported on highly ordered mesoporous silica (MCM-41) at 298 K and under 150–250 mbar D₂ pressure.

Freshly prepared precious metal catalysts have been investigated by electron microscopy, X-ray and neutron spectroscopies and computational methods. At least half the surface is metallic with the remainder covered by oxygen, largely as hydroxide.

Crystallographic structural study of the capacity decay of the LiNi_0.5Mn_1.5O₄||Li₄Ti₅O₁₂ 18650-type battery using operando neutron powder diffraction.

Quasi-elastic neutron scattering allows us to observe single-file diffusion of neopentane in MIL-47(V).

The bulk nanostructure of 15 mol% propylammonium chloride (PACl) dissolved in propylammonium nitrate (PAN) and 15 mol% ethanolammonium chloride (EtACl) in ethanolammonium nitrate (EtAN) has been determined using neutron diffraction with empirical potential structure refinement fits.

The bulk nanostructures of a prototypical ‘good’ solvate ionic liquid (SIL) and ‘poor’ SIL have been examined using neutron diffraction and empirical potential structure refinement (EPSR) simulated fits.

The peculiar macroscopic water distribution is the origin of high conversion yields in sorption enhanced methanation reactors.