Zobrazeno 1 - 10
of 161
pro vyhledávání: '"John M, Gregoire"'
Autor:
Michael J. Statt, Brian A. Rohr, Dan Guevarra, Santosh K. Suram, Thomas E. Morrell, John M. Gregoire
Publikováno v:
Scientific Data, Vol 10, Iss 1, Pp 1-6 (2023)
Abstract We present a database resulting from high throughput experimentation, primarily on metal oxide solid state materials. The central relational database, the Materials Provenance Store (MPS), manages the metadata and experimental provenance fro
Externí odkaz:
https://doaj.org/article/c10ff467d5d14d3482b3bc6717b42920
Autor:
Dan Guevarra, Lan Zhou, Matthias H. Richter, Aniketa Shinde, Di Chen, Carla P. Gomes, John M. Gregoire
Publikováno v:
npj Computational Materials, Vol 8, Iss 1, Pp 1-7 (2022)
Abstract Properties can be tailored by tuning composition in high-order composition spaces. For spaces with complex phase behavior, modeling the properties as a function of composition and phase distribution remains a formidable challenge. We present
Externí odkaz:
https://doaj.org/article/ca2461ada72144e1a25eef440ee74041
Autor:
Shufeng Kong, Francesco Ricci, Dan Guevarra, Jeffrey B. Neaton, Carla P. Gomes, John M. Gregoire
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-12 (2022)
Electrons and phonons give rise to important properties of materials. The machine learning framework Mat2Spec vastly accelerates their computational characterization, enabling discovery of materials for thermoelectrics and solar energy technologies.
Externí odkaz:
https://doaj.org/article/43738d28e2aa4cb8a84eb39c39e3d7fe
Autor:
Yungchieh Lai, Nicholas B. Watkins, Alonso Rosas-Hernández, Arnaud Thevenon, Gavin P. Heim, Lan Zhou, Yueshen Wu, Jonas C. Peters, John M. Gregoire, Theodor Agapie
Publikováno v:
ACS Central Science, Vol 7, Iss 10, Pp 1756-1762 (2021)
Externí odkaz:
https://doaj.org/article/cfe26bedb16f4230ae07d792a94505b3
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-9 (2019)
While the conversion of greenhouse CO2 to chemical fuels offers a promising renewable energy technology, there is a dire need for new materials. Here, authors report the largest CO2 photocathode search using a first-principles approach to identify bo
Externí odkaz:
https://doaj.org/article/233888e2e55f4abab3f3edd1ad0246c6
Autor:
Lan Zhou, Elizabeth A. Peterson, Matthias H. Richter, Yungchieh Lai, Jeffrey B. Neaton, John M. Gregoire
Publikováno v:
ACS Applied Energy Materials. 5:15333-15344
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::056705937bf65736d0f59f6d446d0a63
https://doi.org/10.1021/acsaem.2c02964
https://doi.org/10.1021/acsaem.2c02964
Autor:
Lan Zhou, Yu Wang, Kevin Kan, Daphne M. Lucana, Dan Guevarra, Yungchieh Lai, John M. Gregoire
Publikováno v:
ACS Sustainable Chemistry & Engineering. 10:15898-15908
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d6cabfd29efb1433ff6203f6b463e2a1
https://doi.org/10.1021/acssuschemeng.2c05239
https://doi.org/10.1021/acssuschemeng.2c05239
Autor:
Ann L. Greenaway, Sijia Ke, Theodore Culman, Kevin R. Talley, John S. Mangum, Karen N. Heinselman, Ryan S. Kingsbury, Rebecca W. Smaha, Melissa K. Gish, Elisa M. Miller, Kristin A. Persson, John M. Gregoire, Sage R. Bauers, Jeffrey B. Neaton, Adele C. Tamboli, Andriy Zakutayev
Publikováno v:
Journal of the American Chemical Society, vol 144, iss 30
Photoelectrochemical fuel generation is a promising route to sustainable liquid fuels produced from water and captured carbon dioxide with sunlight as the energy input. Development of these technologies requires photoelectrode materials that are both
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0f101d8d57fe68602946a62b23c5b14d
https://doi.org/10.1021/jacs.2c04241
https://doi.org/10.1021/jacs.2c04241
Autor:
Yungchieh Lai, Nicholas B. Watkins, Christopher Muzzillo, Matthias Richter, Kevin Kan, Lan Zhou, Joel A. Haber, Andriy Zakutayev, Jonas C. Peters, Theodor Agapie, John M. Gregoire
Publikováno v:
ACS Energy Letters. 7:1195-1201
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ddb21abfaadec152c37f0ecc0c53896c
https://doi.org/10.1021/acsenergylett.1c02762
https://doi.org/10.1021/acsenergylett.1c02762
Autor:
Lan Zhou, Hao Li, Yungchieh Lai, Matthias Richter, Kevin Kan, Joel A. Haber, Sara Kelly, Zhenbin Wang, Yubing Lu, R. Soyoung Kim, Xiang Li, Junko Yano, Jens K. Nørskov, John M. Gregoire
Publikováno v:
ACS Energy Letters. 7:993-1000
Guided by computational Pourbaix screening and high-throughput experiments aimed at the development of precious-metal-free fuel cells, we investigate rutile CoSb₂O₆ as an electrocatalyst for oxygen reduction in 1 M sulfuric acid. Following 4 h of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e9136fd856f5350cfb2d3da3d35bf766
https://doi.org/10.1021/acsenergylett.1c02673
https://doi.org/10.1021/acsenergylett.1c02673