Electron-volt neutron spectroscopy: beyond fundamental systems

C Andreani, M Krzystyniak, G Romanelli… - Advances in …, 2017 - Taylor & Francis
This work provides an up-to-date account of the use of electron-volt neutron spectroscopy in
materials research. This is a growing area of neutron science, capitalising upon the unique …

Experimental studies of nuclear quantum effects in condensed matter: The case of water

C Andreani, R Senesi, M Krzystyniak… - La Rivista del Nuovo …, 2018 - Springer
Water continues to be the focus of a considerable number of experimental and theoretical
investigations because of the important role it plays in many phenomena in fundamental and …

Characterisation of the incident beam and current diffraction capabilities on the VESUVIO spectrometer

G Romanelli, M Krzystyniak, R Senesi… - Measurement …, 2017 - iopscience.iop.org
The VESUVIO spectrometer at the ISIS pulsed neutron and muon source is a unique
instrument amongst those available at neutron facilities. This is the only inverted-geometry …

Vibrational probe of the structural origins of slow recombination in halide perovskites

KT Munson, GS Doucette, ER Kennehan… - The Journal of …, 2019 - ACS Publications
We use time-resolved vibrational spectroscopy to probe the structural origins of the
remarkably long charge recombination lifetimes of halide perovskites. The N–H bend …

Polyether phases of formic acid revealed under high pressure

H Bhatt, AK Verma, P Modak - Chemical Communications, 2023 - pubs.rsc.org
Evolutionary structure searches reveal that at 20 GPa, formic acid (FA) transforms to an
orthorhombic ether-chain polymer phase, ruling out hydrogen bond symmetrization …

[HTML][HTML] Hydrogen spillover in tungsten oxide bronzes as observed by broadband neutron spectroscopy

E Lalik, SF Parker, G Irvine, I da Silva, MJ Gutmann… - Energies, 2023 - mdpi.com
Hydrogen spillover is an elusive process, and its characterization, using experimental
probes and ab initio modeling, poses a serious challenge. In this work, the nuclear quantum …

Non-invasive detection of hazardous materials with a thermal-to-epithermal neutron station: a feasibility study towards practical application

M Silarski, K Dziedzic-Kocurek, K Drużbicki… - Scientific reports, 2024 - nature.com
The growing scale of the devastation that even a single terrorist attack can cause requires
more effective methods for the detection of hazardous materials. In particular, there are no …

[HTML][HTML] Glass transition in rice pasta as observed by combined neutron scattering and time-domain NMR

M Witek, M Krzystyniak, G Romanelli, T Witczak - Polymers, 2021 - mdpi.com
Experimental protocols aiming at the characterisation of glass transition often suffer from
ambiguity. The ambition of the present study is to describe the glass transition in a complex …

Data analysis of neutron Compton scattering experiments using MANTID

G Romanelli, B Hewer, M Krzystyniak… - Journal of Physics …, 2018 - iopscience.iop.org
The VESUVIO spectrometer at the ISIS pulsed neutron and muon source is an epithermal
and thermal neutron station requiring a software suite able to tackle the analysis of …

Hydrogen dynamics in solid formic acid: insights from simulations with quantum colored-noise thermostats

K Drużbicki, M Krzystyniak, D Hollas… - Journal of physics …, 2018 - iopscience.iop.org
With an increase of computational capabilities, ab initio molecular dynamics becomes the
natural choice for exploring the nuclear dynamics of solids. As based on classical …