Phase transformations and vibrational properties of hybrid organic–inorganic perovskite MAPbI3 bulk at high pressure

Autor: Ardimas, Teerachote Pakornchote, Wiwittawin Sukmas, Sojiphong Chatraphorn, Stewart J. Clark, Thiti Bovornratanaraks

Publikováno v: Scientific Reports, Vol 13, Iss 1, Pp 1-12 (2023)

Abstract The structural stability and internal properties of hybrid organic–inorganic perovskites (HOIPs) have been widely investigated over the past few years. The interplay between organic cations and inorganic framework is one of the prominent f

Externí odkaz: https://doaj.org/article/d46b672c1f8542df8e964e55fe66fce7

Calculation and interpretation of classical turning surfaces in solids

Autor: Aaron D. Kaplan, Stewart J. Clark, Kieron Burke, John P. Perdew

Publikováno v: npj Computational Materials, Vol 7, Iss 1, Pp 1-10 (2021)

Abstract Classical turning surfaces of Kohn–Sham potentials separate classically allowed regions (CARs) from classically forbidden regions (CFRs). They are useful for understanding many chemical properties of molecules but need not exist in solids,

Externí odkaz: https://doaj.org/article/60b73c6794b3451ab2f81e2999f99cfe

Exploring the nature of the fergusonite–scheelite phase transition and ionic conductivity enhancement by Mo6+doping in LaNbO4

Autor: Stewart J. Clark, Ivana Radosavljevic Evans, Laura Lopez-Odriozola, Josie E. Auckett

Publikováno v: Journal of materials chemistry A, 2021, Vol.9(7), pp.4091-4102 [Peer Reviewed Journal]

A number of metal oxides that crystallise in the scheelite structure type are known to be excellent oxide ion conductors. Here we report the synthesis of a series of materials with general formula LaNb1−xMoxO4+0.5x (x = 0, 0.08, 0.12, 0.16, 0.20) a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::714fde1d80e0dea73f60952258ace055
https://doi.org/10.1039/d0ta07453e

Identification of Graphene Dispersion Agents through Molecular Fingerprints

Autor: Stuart J. Goldie, Matteo T. Degiacomi, Shan Jiang, Stewart J. Clark, Valentina Erastova, Karl S. Coleman

Publikováno v: ACS Nano, 2022, Vol.16(10) [Peer Reviewed Journal]
Goldie, S J, Degiacomi, M T, Jiang, S, Clark, S J, Erastova, V & Coleman, K S 2022, ' Identification of Graphene Dispersion Agents through Molecular Fingerprints ', ACS Nano, vol. 16, no. 10, pp. 16109-16117 . https://doi.org/10.1021/acsnano.2c04406

The scalable production and dispersion of 2D materials, like graphene, is critical to enable their use in commercial applications. While liquid exfoliation is commonly used, solvents such as N-methyl-pyrrolidone (NMP) are toxic and difficult to scale

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a4cbc089a410297c34dc424ba8e2cf25
http://dro.dur.ac.uk/37954/

Optimizing geophysical muon radiography using information theory

Autor: S. M. Paling, Stewart J. Clark, D. L. Lincoln, C. J. Benton, Max Coleman, Cathryn N. Mitchell, Lester D.R. Thompson, Jon Gluyas

Publikováno v: Geophysical journal international, 2020, Vol.220(2), pp.1078-1094 [Peer Reviewed Journal]

SUMMARY Cosmic ray muons are highly penetrating, with some reaching several kilometres into solid rock. Consequently, muon detectors have been used to probe the interiors of large geological structures, by observing how the muon flux varies with dire

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::81084955effaa137de44e4b63230628a
https://doi.org/10.1093/gji/ggz503