Giant onsite electronic entropy enhances the performance of ceria for water splitting

Autor: S. Shahab Naghavi, Antoine A. Emery, Heine A. Hansen, Fei Zhou, Vidvuds Ozolins, Chris Wolverton

Publikováno v: Nature Communications, Vol 8, Iss 1, Pp 1-6 (2017)

Solid-state entropy of reduction increases the thermodynamic efficiency of ceria for two-step thermochemical water splitting. Here, the authors report a large and different source of entropy, the onsite electronic configurational entropy arising from

Externí odkaz: https://doaj.org/article/640eb7b90f98450285a593b191b5f702

Predictions of new ABO3 perovskite compounds by combining machine learning and density functional theory

Autor: Alex Zunger, Chris Wolverton, Turab Lookman, Prasanna V. Balachandran, James Gubernatis, Antoine A. Emery

Publikováno v: Physical Review Materials. 2

We apply machine learning (ML) methods to a database of 390 experimentally reported $AB{\mathrm{O}}_{3}$ compounds to construct two statistical models that predict possible new perovskite materials and possible new cubic perovskites. The first ML mod

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::34f80f691b43d850cc4f09033cd82434
https://doi.org/10.1103/physrevmaterials.2.043802

Giant onsite electronic entropy enhances the performance of ceria for water splitting

Autor: Antoine A. Emery, Chris Wolverton, Fei Zhou, S. Shahab Naghavi, Vidvuds Ozolins, Heine Anton Hansen

Publikováno v: Nature Communications
Naghavi, S S, Emery, A A, Hansen, H A, Zhou, F, Ozolins, V & Wolverton, C 2017, ' Giant onsite electronic entropy enhances the performance of ceria for water splitting ', Nature Communications, vol. 8, 285 . https://doi.org/10.1038/s41467-017-00381-2
Nature Communications, Vol 8, Iss 1, Pp 1-6 (2017)

Previous studies have shown that a large solid-state entropy of reduction increases the thermodynamic efficiency of metal oxides, such as ceria, for two-step thermochemical water splitting cycles. In this context, the configurational entropy arising

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b99679e135bebe3d8d11ca56d48a80fd
https://pubmed.ncbi.nlm.nih.gov/28819153

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Autor: Antoine d', Emery

Publikováno v: Universidad Complutense de Madrid.

Externí odkaz: http://www.manuscriptorium.com/apps/index.php?direct=record&pid=UCM___-UCM___BH_FOA_2922_2H8U7U3-es

Giant onsite electronic entropy enhances the performance of ceria for water splitting.

Autor: Naghavi, S. Shahab, Emery, Antoine A., Hansen, Heine A., Fei Zhou, Ozolins, Vidvuds, Wolverton, Chris

Publikováno v: Nature Communications; 8/18/2017, Vol. 8 Issue 1, p1-6, 6p