Neutron scattering studies of heterogeneous catalysis

X Yu, Y Cheng, Y Li, F Polo-Garzon, J Liu… - Chemical …, 2023 - ACS Publications
Understanding the structural dynamics/evolution of catalysts and the related surface
chemistry is essential for establishing structure–catalysis relationships, where spectroscopic …

Understanding the ZIF-L to ZIF-8 transformation from fundamentals to fully costed kilogram-scale production

A Deacon, L Briquet, M Malankowska… - Communications …, 2022 - nature.com
The production of MOFs at large scale in a sustainable way is key if these materials are to be
exploited for their promised widespread application. Much of the published literature has …

Chasing the “killer” phonon mode for the rational design of low‐disorder, high‐mobility molecular semiconductors

G Schweicher, G d'Avino, MT Ruggiero… - Advanced …, 2019 - Wiley Online Library
Molecular vibrations play a critical role in the charge transport properties of weakly van der
Waals bonded organic semiconductors. To understand which specific phonon modes …

Compact Neutron Sources for Condensed-Matter Physics in Russia and Abroad: State of Affairs and Prospects

KA Pavlov, PI Konik, NA Kovalenko, TV Kulevoy… - Crystallography …, 2022 - Springer
A concept of a project of compact neutron source (CNS), dedicated for academical research
and industrial application (DARIA), is presented. Several versions of neutron source …

Predicting the reactivity of energetic materials: an ab initio multi-phonon approach

AAL Michalchuk, M Trestman, S Rudić… - Journal of Materials …, 2019 - pubs.rsc.org
The ease with which an energetic material (explosives, propellants, and pyrotechnics) can
be initiated is a critical parameter to assess their safety and application. Impact sensitivity …

Water in deep eutectic solvents: new insights from inelastic neutron scattering spectroscopy

MM Nolasco, SN Pedro, C Vilela, PD Vaz… - Frontiers in …, 2022 - frontiersin.org
The effect of water on the physicochemical properties of deep eutectic solvents (DES) is a
trending research topic. In this work, inelastic neutron scattering (INS) spectroscopy, was …

Cation dynamics and structural stabilization in formamidinium lead iodide perovskites

K Druzbicki, R Laven, J Armstrong… - The Journal of …, 2021 - ACS Publications
The vibrational dynamics of pure and methylammonium-doped formamidinium lead iodide
perovskites (FAPbI3) has been investigated by high-resolution neutron spectroscopy. For …

[HTML][HTML] The average and local structure of TiVCrNbDx (x= 0, 2.2, 8) from total scattering and neutron spectroscopy

MM Nygård, ØS Fjellvåg, MH Sørby, K Sakaki, K Ikeda… - Acta Materialia, 2021 - Elsevier
The volumetric hydrogen density of 160 kg H/m 3 in TiVCrNbH 8 is among the highest for
interstitial hydrides, but the reported reversible capacity is only about 2/3 of the full …

Control of zeolite microenvironment for propene synthesis from methanol

L Lin, M Fan, AM Sheveleva, X Han, Z Tang… - Nature …, 2021 - nature.com
Optimising the balance between propene selectivity, propene/ethene ratio and catalytic
stability and unravelling the explicit mechanism on formation of the first carbon–carbon bond …

Predicting the impact sensitivity of a polymorphic high explosive: the curious case of FOX-7

AAL Michalchuk, S Rudić, CR Pulham… - Chemical …, 2021 - pubs.rsc.org
The impact sensitivity (IS) of FOX-7 polymorphs is predicted by phonon up-pumping to
decrease as layers of FOX-7 molecules flatten. Experimental validation proved anomalous …