Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Antoine A. Emery"'
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
Publikováno v:
Chemistry of Materials. 28:5621-5634
The use of hydrogen as fuel is a promising avenue to aid in the reduction of greenhouse effect gases released in the atmosphere. In this work, we present a high-throughput density functional theory (HT-DFT) study of 5,329 cubic and distorted perovski
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bf3488efee34243a8becaa981f754570
https://doi.org/10.1021/acs.chemmater.6b01182
https://doi.org/10.1021/acs.chemmater.6b01182
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
https://doi.org/10.1103/physrevmaterials.2.043802
Autor:
Antoine A. Emery, Chris Wolverton
Publikováno v:
Scientific Data. 4
ABO3 perovskites are oxide materials that are used for a variety of applications such as solid oxide fuel cells, piezo-, ferro-electricity and water splitting. Due to their remarkable stability with respect to cation substitution, new compounds for s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::58f5b20921fc38ecf3c314673a952252
https://doi.org/10.1038/sdata.2017.153
https://doi.org/10.1038/sdata.2017.153
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)
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
https://pubmed.ncbi.nlm.nih.gov/28819153
Publikováno v:
ChemInform. 47
The use of hydrogen as fuel is a promising avenue to aid in the reduction of greenhouse effect gases released in the atmosphere. In this work, we present a high-throughput density functional theory (HT-DFT) study of 5,329 cubic and distorted perovski
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bc0af07a3e965609852baf4b6d082cd4
https://doi.org/10.1002/chin.201644010
https://doi.org/10.1002/chin.201644010
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
Autor:
Barcellos DR; Metallurgical and Materials Engineering Department , Colorado School of Mines , Golden , Colorado , United States., Coury FG; Metallurgical and Materials Engineering Department , Colorado School of Mines , Golden , Colorado , United States., Emery A; Department of Materials Science and Engineering , Northwestern University , Evanston , Illinois , United States., Sanders M; Metallurgical and Materials Engineering Department , Colorado School of Mines , Golden , Colorado , United States., Tong J; Department of Materials Science and Engineering , Clemson University , Clemson , South Carolina , United States., McDaniel A; Sandia National Laboratory , Livermore , California , United States., Wolverton C; Department of Materials Science and Engineering , Northwestern University , Evanston , Illinois , United States., Kaufman M; Metallurgical and Materials Engineering Department , Colorado School of Mines , Golden , Colorado , United States., O'Hayre R; Metallurgical and Materials Engineering Department , Colorado School of Mines , Golden , Colorado , United States.
Publikováno v:
Inorganic chemistry [Inorg Chem] 2019 Jun 17; Vol. 58 (12), pp. 7705-7714. Date of Electronic Publication: 2019 May 30.