Literature DB >> 33947108

Dynamics & Spectroscopy with Neutrons-Recent Developments & Emerging Opportunities.

Kacper Drużbicki1,2, Mattia Gaboardi3, Felix Fernandez-Alonso1,4,5,6.   

Abstract

This work provides an up-to-date overview of recent developments in neutron spectroscopic techniques and associated computational tools to interrogate the structural properties and dynamical behavior of complex and disordered materials, with a focus on those of a soft and polymeric nature. These have and continue to pave the way for new scientific opportunities simply thought unthinkable not so long ago, and have particularly benefited from advances in high-resolution, broadband techniques spanning energy transfers from the meV to the eV. Topical areas include the identification and robust assignment of low-energy modes underpinning functionality in soft solids and supramolecular frameworks, or the quantification in the laboratory of hitherto unexplored nuclear quantum effects dictating thermodynamic properties. In addition to novel classes of materials, we also discuss recent discoveries around water and its phase diagram, which continue to surprise us. All throughout, emphasis is placed on linking these ongoing and exciting experimental and computational developments to specific scientific questions in the context of the discovery of new materials for sustainable technologies.

Entities:  

Keywords:  computational materials modeling; ice; neutron spectroscopy; nuclear quantum effects; plastic crystals; polymers; soft matter; supramolecular frameworks; sustainable materials; water

Year:  2021        PMID: 33947108     DOI: 10.3390/polym13091440

Source DB:  PubMed          Journal:  Polymers (Basel)        ISSN: 2073-4360            Impact factor:   4.329


  149 in total

1.  Inelastic neutron scattering study of low energy excitations in polymer thin films.

Authors:  Rintaro Inoue; Toshiji Kanaya; Koji Nishida; Itaru Tsukushi; Kaoru Shibata
Journal:  Phys Rev Lett       Date:  2005-07-25       Impact factor: 9.161

2.  Pressure-Induced Effects in Organic-Inorganic Hybrid Perovskites.

Authors:  Paolo Postorino; Lorenzo Malavasi
Journal:  J Phys Chem Lett       Date:  2017-05-31       Impact factor: 6.475

3.  Adsorption of molecular hydrogen on coordinatively unsaturated Ni(II) sites in a nanoporous hybrid material.

Authors:  Paul M Forster; Juergen Eckert; Brandon D Heiken; John B Parise; Ji Woong Yoon; Sung Hwa Jhung; Jong-San Chang; Anthony K Cheetham
Journal:  J Am Chem Soc       Date:  2006-12-27       Impact factor: 15.419

4.  Accurate Description of Nuclear Quantum Effects with High-Order Perturbed Path Integrals (HOPPI).

Authors:  Igor Poltavsky; Venkat Kapil; Michele Ceriotti; Kwang S Kim; Alexandre Tkatchenko
Journal:  J Chem Theory Comput       Date:  2020-01-22       Impact factor: 6.006

5.  WIEN2k: An APW+lo program for calculating the properties of solids.

Authors:  Peter Blaha; Karlheinz Schwarz; Fabien Tran; Robert Laskowski; Georg K H Madsen; Laurence D Marks
Journal:  J Chem Phys       Date:  2020-02-21       Impact factor: 3.488

6.  Quantum Tunneling of Water in Beryl: A New State of the Water Molecule.

Authors:  Alexander I Kolesnikov; George F Reiter; Narayani Choudhury; Timothy R Prisk; Eugene Mamontov; Andrey Podlesnyak; George Ehlers; Andrew G Seel; David J Wesolowski; Lawrence M Anovitz
Journal:  Phys Rev Lett       Date:  2016-04-22       Impact factor: 9.161

7.  General working principles of CH3NH3PbX3 perovskite solar cells.

Authors:  Victoria Gonzalez-Pedro; Emilio J Juarez-Perez; Waode-Sukmawati Arsyad; Eva M Barea; Francisco Fabregat-Santiago; Ivan Mora-Sero; Juan Bisquert
Journal:  Nano Lett       Date:  2014-01-10       Impact factor: 11.189

8.  Hybrid Perovskite at Full Tilt: Structure and Symmetry Relations of the Incommensurately Modulated Phase of Methylammonium Lead Bromide, MAPbBr3.

Authors:  Dennis Wiedemann; Joachim Breternitz; Daniel W Paley; Susan Schorr
Journal:  J Phys Chem Lett       Date:  2021-03-05       Impact factor: 6.475

9.  Quantum delocalization of molecular hydrogen in alkali-graphite intercalates.

Authors:  Arthur Lovell; Felix Fernandez-Alonso; Neal T Skipper; Keith Refson; Stephen M Bennington; Stewart F Parker
Journal:  Phys Rev Lett       Date:  2008-09-18       Impact factor: 9.161

10.  Evolution of Hydrogen Dynamics in Amorphous Ice with Density.

Authors:  A Parmentier; J J Shephard; G Romanelli; R Senesi; C G Salzmann; C Andreani
Journal:  J Phys Chem Lett       Date:  2015-05-18       Impact factor: 6.475

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  1 in total

1.  Unraveling the Ordered Phase of the Quintessential Hybrid Perovskite MAPbI3─Thermophysics to the Rescue.

Authors:  Pelayo Marín-Villa; Ana Arauzo; Kacper Drużbicki; Felix Fernandez-Alonso
Journal:  J Phys Chem Lett       Date:  2022-09-07       Impact factor: 6.888

  1 in total

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