Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Jonathan Skelton"'
Publikováno v:
The Journal of Physical Chemistry A. 127:1702-1714
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7aee2338f026fdc4f45abca910b11d3c
https://doi.org/10.1021/acs.jpca.2c06566
https://doi.org/10.1021/acs.jpca.2c06566
Publikováno v:
Brlec, K, Spooner, K B, Skelton, J M & Scanlon, D O 2022, ' Y2Ti2O5S2 – a promising n-type oxysulphide for thermoelectric applications ', Journal of Materials Chemistry A . https://doi.org/10.1039/D2TA04160J
Thermoelectric materials offer an unambiguous solution to the ever-increasing global demand for energy by harnessing the Seebeck effect to convert waste heat to electrical energy. Mixed-anion materials are ideal candidate thermoelectric materials due
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0f2fc57d93594645a248d9a1496d0818
https://doi.org/10.1039/d2ta04160j
https://doi.org/10.1039/d2ta04160j
The development of single-molecule magnets (SMMs) for information storage and processing relies on compounds with long spin lifetimes, and thus requires an understanding of the spin-phonon coupling. The phonon bath itself has a central role in these
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::60c8a9607e770119f638dcdc9a2035f8
https://doi.org/10.26434/chemrxiv-2023-6q06z
https://doi.org/10.26434/chemrxiv-2023-6q06z
Publikováno v:
Solids; Volume 3; Issue 1; Pages: 155-176
Thermoelectric materials convert waste heat to electricity and are part of the package of technologies needed to limit global warming. The tin chalcogenides SnS and SnSe are promising candidate thermoelectrics, with orthorhombic SnSe showing some of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::34cf7ecc2acadab26478ceb53b06238f
Autor:
Samuel Moxon, Jonathan Skelton, Joshua S. Tse, Joseph Flitcroft, A. Togo, David J. Cooke, E. Lora da Silva, Robert M. Harker, Mark T. Storr, Stephen C. Parker, Marco Molinari
Publikováno v:
Moxon, S, Skelton, J, Tse, J S, Flitcroft, J, Togo, A, Cooke, D J, Lora Da Silva, E, Harker, R M, Storr, M T, Parker, S C & Molinari, M 2022, ' Structural dynamics of Schottky and Frenkel defects in ThO2: a density-functional theory study ', Journal of Materials Chemistry A . https://doi.org/10.1039/D1TA10072F
Thorium dioxide (ThO²) is a promising alternative to mixed-oxide nuclear fuels due to its longer fuel cycle and resistance to proliferation. Understanding the thermal properties, in particular the thermal conductivity, under reactor conditions is cr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::90cbd65f2fe3ec022d8b00a0e07ac0d2
http://xlink.rsc.org/?DOI=D1TA10072F
http://xlink.rsc.org/?DOI=D1TA10072F
Autor:
Jonathan Skelton
Thermoelectric generators (TEGs) convert waste heat to electricity and are a leading contender for improving energy efficiency at a range of scales. Ideal TE materials show a large Seebeck effect, high electrical conductivity, and low thermal conduct
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::47cf354f3a6e1eddd4e32fde1ade9066
https://doi.org/10.26434/chemrxiv.14540358
https://doi.org/10.26434/chemrxiv.14540358
Autor:
Jonathan Skelton, Ioanna Pallikara
Publikováno v:
University of Manchester-PURE
The tin monochalcogenides SnS and SnSe adopt four different crystal structures, viz. orthorhombic Pnma and Cmcm and cubic rocksalt and π-cubic (P213) phases, each of which has optimal properties for a range of potential applications. This rich phase
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::435a9e0146f153515aa42068ebac091a
https://doi.org/10.26434/chemrxiv.14187689.v2
https://doi.org/10.26434/chemrxiv.14187689.v2
The environmental burden of fossil fuels and the rising impact of global warming have created an urgent need for sustainable clean energy sources. This has led to widespread interest in thermoelectric (TE) materials to recover part of the 60 % of glo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3b7acc7cdcb10bd2a068fe7be9216902
https://doi.org/10.26434/chemrxiv.14541801.v1
https://doi.org/10.26434/chemrxiv.14541801.v1
Autor:
Paul Popelier, Tomás Rocha-Rinza, Jonathan Skelton, arnaldo silva, Leonardo J. Duarte, Arturo Sauza-de la Vega
Many chemical phenomena are ultimately due to energy balances between atoms. In order to reach firm and clear conclusions one needs a reliable energy decomposition analysis (EDA). The Interacting Quantum Atoms (IQA) energy partitioning method is one
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::03c3530a9ffbb904dd25e601fe691be9
https://doi.org/10.26434/chemrxiv.14369726
https://doi.org/10.26434/chemrxiv.14369726
Autor:
Anuradha Pallipurath, Francesco Civati, Jonathan Skelton, Dean Keeble, Clare Crowley, Mary-Ellen Crowley, Patrick McArdle, Andrea Erxleben
X-ray pair distribution function analysis is used with first-principles molecular dynamics simulations to study the co-operative H2O binding, structural dynamics and host-guest interactions in the channel hydrate of diflunisal.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::74cea397088f3d01387ae7597b0bbd5b
https://doi.org/10.26434/chemrxiv.12837524
https://doi.org/10.26434/chemrxiv.12837524