Zobrazeno 1 - 10
of 21
pro vyhledávání: '"Javier Heras-Domingo"'
Autor:
Dmitry Lebedev, Roman Ezhov, Javier Heras-Domingo, Aleix Comas-Vives, Nicolas Kaeffer, Marc Willinger, Xavier Solans-Monfort, Xing Huang, Yulia Pushkar, Christophe Copéret
Publikováno v:
ACS Central Science, Vol 6, Iss 7, Pp 1189-1198 (2020)
Externí odkaz:
https://doaj.org/article/cba62648d62d473e9a154de1876c6eb0
Autor:
Danilo González, Javier Heras-Domingo, Stefano Pantaleone, Albert Rimola, Luis Rodríguez-Santiago, Xavier Solans-Monfort, Mariona Sodupe
Publikováno v:
ACS Omega, Vol 4, Iss 2, Pp 2989-2999 (2019)
Externí odkaz:
https://doaj.org/article/28aabe623ec74592b6b2f940eecb832b
Publikováno v:
Journal of Chemical Information and Modeling. 63:2427-2437
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3f60e34c8406026d13dc2378c925032e
https://doi.org/10.1021/acs.jcim.3c00142
https://doi.org/10.1021/acs.jcim.3c00142
Autor:
Jehad Abed, Javier Heras-Domingo, Mingchuan Luo, Rohan Sanspeur, Wajdi Alnoush, Debora Meira, Hsiao-Tsu Wang, Jian Wang, Jigang Zhou, Daojin Zhou, Khalid Fatih, Drew Higgins, Zachary Ulissi, Edward Sargent
Further improvements in the performance and cost-effectiveness of water electrolyzers are urgently needed to accelerate decarbonization of hydrogen production. Iridium-free oxygen evolution reaction (OER) electrocatalysts are needed that are active a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a1413f85a952ae6bdd5e23c741f6b2a7
https://doi.org/10.21203/rs.3.rs-2410178/v1
https://doi.org/10.21203/rs.3.rs-2410178/v1
Autor:
Danilo González, Luis Rodríguez-Santiago, Mariona Sodupe, Xavier Solans-Monfort, Javier Heras-Domingo
Publikováno v:
Dipòsit Digital de Documents de la UAB
Universitat Autònoma de Barcelona
Universitat Autònoma de Barcelona
The oxygen evolution reaction (OER) is considered to be the limiting step for the water splitting process. OER catalyst optimization is hindered because in the desirable acidic conditions the sole active catalysts are the expensive RuO2 and IrO2-base
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::075c9ba6edecc43bfc694c319adb3be3
https://doi.org/10.1016/j.jcat.2021.02.026
https://doi.org/10.1016/j.jcat.2021.02.026
Autor:
Nicolas Kaeffer, Xavier Solans-Monfort, Yulia Pushkar, Marc Willinger, Xing Huang, Christophe Copéret, Roman Ezhov, Aleix Comas-Vives, Javier Heras-Domingo, Dmitry Lebedev
Publikováno v:
ACS Central Science
ACS Central Science, 6 (7)
Dipòsit Digital de Documents de la UAB
Universitat Autònoma de Barcelona
ACS Central Science, Vol 6, Iss 7, Pp 1189-1198 (2020)
ACS Central Science, 6 (7)
Dipòsit Digital de Documents de la UAB
Universitat Autònoma de Barcelona
ACS Central Science, Vol 6, Iss 7, Pp 1189-1198 (2020)
Heterogeneous catalysts in the form of atomically dispersed metals on a support provide the most efficient utilization of the active component, which is especially important for scarce and expensive late transition metals. These catalysts also enable
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7deb19f7b58934ebbf61c5ed5792bcd7
http://europepmc.org/articles/PMC7379386
http://europepmc.org/articles/PMC7379386
Autor:
Richard Tran, Janice Lan, Muhammed Shuaibi, Brandon M. Wood, Siddharth Goyal, Abhishek Das, Javier Heras-Domingo, Adeesh Kolluru, Ammar Rizvi, Nima Shoghi, Anuroop Sriram, Félix Therrien, Jehad Abed, Oleksandr Voznyy, Edward H. Sargent, Zachary Ulissi, C. Lawrence Zitnick
The development of machine learning models for electrocatalysts requires a broad set of training data to enable their use across a wide variety of materials. One class of materials that currently lacks sufficient training data is oxides, which are cr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6d071f29a5d51a9516c9a6213f3abc17
Autor:
Xavier Solans-Monfort, Danilo González, Luis Rodríguez-Santiago, Javier Heras-Domingo, Stefano Pantaleone, Mariona Sodupe, Albert Rimola
Publikováno v:
Dipòsit Digital de Documents de la UAB
Universitat Autònoma de Barcelona
ACS Omega, Vol 4, Iss 2, Pp 2989-2999 (2019)
Universitat Autònoma de Barcelona
ACS Omega, Vol 4, Iss 2, Pp 2989-2999 (2019)
Understanding metal oxide MO2 (M = Ti, Ru, and Ir)-water interfaces is essential to assess the catalytic behavior of these materials. The present study analyzes the H2O-MO2 interactions at the most abundant (110) and (011) surfaces, at two different
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1d6a8fbfacef9214a528677a352e7fb2
https://doi.org/10.1021/acsomega.8b03350
https://doi.org/10.1021/acsomega.8b03350
Autor:
Brandon Wood, Lowik Chanussot, Weihua Hu, Zachary W. Ulissi, Muhammed Shuaibi, Siddharth Goyal, Devi Parikh, Morgane Riviere, Thibaut Lavril, Anuroop Sriram, C. Lawrence Zitnick, Kevin Tran, Aini Palizhati, Javier Heras-Domingo, Junwoong Yoon, Caleb Ho, Abhishek Das
Catalyst discovery and optimization is key to solving many societal and energy challenges including solar fuels synthesis, long-term energy storage, and renewable fertilizer production. Despite considerable effort by the catalysis community to apply
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ea5ff843439f29f4796da51e2972b109
http://arxiv.org/abs/2010.09990
http://arxiv.org/abs/2010.09990
Autor:
Dmitry Lebedev, Nicolas Kaeffer, Javier Heras-Domingo, Yulia Pushkar, Roman Ezhov Ezhov, Huang Xing, Aleix Comas Vives, Xavier Solans-Monfort, Christophe Copéret, Marc Willinger
Heterogeneous catalysts in the form of atomically dispersed metals on a support provide the most efficient utilization of the active component, which is especially important for scarce and expensive late transition metals. These catalysts also enable
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5b9dced8c5b2d6bb008aba969f1dee95
https://doi.org/10.26434/chemrxiv.11852643
https://doi.org/10.26434/chemrxiv.11852643