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Themed collection Neutron Scattering in Catalysis and Energy Materials

21 items
Editorial

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.

Graphical abstract: Neutron scattering in catalysis and energy materials
Perspective

Dynamics of H2 adsorbed in porous materials as revealed by computational analysis of inelastic neutron scattering spectra

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.

Graphical abstract: Dynamics of H2 adsorbed in porous materials as revealed by computational analysis of inelastic neutron scattering spectra
Paper

An in-depth understanding of the bimetallic effects and coked carbon species on an active bimetallic Ni(Co)/Al2O3 dry reforming catalyst

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.

Graphical abstract: An in-depth understanding of the bimetallic effects and coked carbon species on an active bimetallic Ni(Co)/Al2O3 dry reforming catalyst
Paper

Ammonia mobility in chabazite: insight into the diffusion component of the NH3-SCR process

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.

Graphical abstract: Ammonia mobility in chabazite: insight into the diffusion component of the NH3-SCR process
Paper

Spectroscopic investigation into the design of solid–acid catalysts for the low temperature dehydration of ethanol

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

Graphical abstract: Spectroscopic investigation into the design of solid–acid catalysts for the low temperature dehydration of ethanol
Paper

Methanol diffusion in zeolite HY: a combined quasielastic neutron scattering and molecular dynamics simulation study

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.

Graphical abstract: Methanol diffusion in zeolite HY: a combined quasielastic neutron scattering and molecular dynamics simulation study
Paper

The application of inelastic neutron scattering to investigate the interaction of methyl propanoate with silica

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

Graphical abstract: The application of inelastic neutron scattering to investigate the interaction of methyl propanoate with silica
Paper

Hydrogen adsorption on two catalysts for the ortho- to parahydrogen conversion: Cr-doped silica and ferric oxide gel

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

Graphical abstract: Hydrogen adsorption on two catalysts for the ortho- to parahydrogen conversion: Cr-doped silica and ferric oxide gel
Open Access Paper

Different routes to methanol: inelastic neutron scattering spectroscopy of adsorbates on supported copper catalysts

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

Graphical abstract: Different routes to methanol: inelastic neutron scattering spectroscopy of adsorbates on supported copper catalysts
Paper

Looking inside the pores of a MCM-41 based Mo heterogeneous styrene oxidation catalyst: an inelastic neutron scattering study

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

Graphical abstract: Looking inside the pores of a MCM-41 based Mo heterogeneous styrene oxidation catalyst: an inelastic neutron scattering study
Open Access Paper

Heads or tails: how do chemically substituted fullerenes melt?

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

Graphical abstract: Heads or tails: how do chemically substituted fullerenes melt?
Paper

An INS study of entrapped organic cations within the micropores of zeolite RTH

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

Graphical abstract: An INS study of entrapped organic cations within the micropores of zeolite RTH
Open Access Paper

The adsorbed state of a thiol on palladium nanoparticles

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

Graphical abstract: The adsorbed state of a thiol on palladium nanoparticles
Open Access Paper

An investigation of the effect of carbon support on ruthenium/carbon catalysts for lactic acid and butanone hydrogenation

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.

Graphical abstract: An investigation of the effect of carbon support on ruthenium/carbon catalysts for lactic acid and butanone hydrogenation
Open Access Paper

Determination of toluene hydrogenation kinetics with neutron diffraction

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.

Graphical abstract: Determination of toluene hydrogenation kinetics with neutron diffraction
Open Access Paper

Characterisation of the surface of freshly prepared precious metal catalysts

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.

Graphical abstract: Characterisation of the surface of freshly prepared precious metal catalysts
Paper

Crystallographic origin of cycle decay of the high-voltage LiNi0.5Mn1.5O4 spinel lithium-ion battery electrode

Crystallographic structural study of the capacity decay of the LiNi0.5Mn1.5O4||Li4Ti5O12 18650-type battery using operando neutron powder diffraction.

Graphical abstract: Crystallographic origin of cycle decay of the high-voltage LiNi0.5Mn1.5O4 spinel lithium-ion battery electrode
Paper

Observation of single-file diffusion in a MOF

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

Graphical abstract: Observation of single-file diffusion in a MOF
Open Access Paper

Dissolved chloride markedly changes the nanostructure of the protic ionic liquids propylammonium and ethanolammonium nitrate

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.

Graphical abstract: Dissolved chloride markedly changes the nanostructure of the protic ionic liquids propylammonium and ethanolammonium nitrate
Open Access Paper

Bulk nanostructure of the prototypical ‘good’ and ‘poor’ solvate ionic liquids [Li(G4)][TFSI] and [Li(G4)][NO3]

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.

Graphical abstract: Bulk nanostructure of the prototypical ‘good’ and ‘poor’ solvate ionic liquids [Li(G4)][TFSI] and [Li(G4)][NO3]
Paper

Water distribution in a sorption enhanced methanation reactor by time resolved neutron imaging

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

Graphical abstract: Water distribution in a sorption enhanced methanation reactor by time resolved neutron imaging
21 items

About this collection

This themed issue focuses on the use of neutron scattering to interrogate catalysts and materials used in energy storage. These materials are often difficult to characterise and the use of neutron scattering in these fields provide valuable information to improve fundamental understanding. This themed issue is guest-edited by Richard Catlow (University College London), Stewart Parker and Ian Silverwood (ISIS Neutron and Muon Facility, STFC).

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