Zobrazeno 1 - 10
of 22
pro vyhledávání: '"Kirsten T. Winther"'
Synergistic effects of mixing and strain in high entropy spinel oxides for oxygen evolution reaction
Autor:
Jihyun Baek, Md Delowar Hossain, Pinaki Mukherjee, Junghwa Lee, Kirsten T. Winther, Juyoung Leem, Yue Jiang, William C. Chueh, Michal Bajdich, Xiaolin Zheng
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-11 (2023)
Abstract Developing stable and efficient electrocatalysts is vital for boosting oxygen evolution reaction (OER) rates in sustainable hydrogen production. High-entropy oxides (HEOs) consist of five or more metal cations, providing opportunities to tun
Externí odkaz:
https://doaj.org/article/35aed22dfe824249a0966e3040b8a610
Publikováno v:
npj Computational Materials, Vol 6, Iss 1, Pp 1-11 (2020)
Abstract For high-throughput screening of materials for heterogeneous catalysis, scaling relations provides an efficient scheme to estimate the chemisorption energies of hydrogenated species. However, conditioning on a single descriptor ignores the m
Externí odkaz:
https://doaj.org/article/49cb2d1a410e45efa84ac22648868d1b
Efficient and Stable Acidic Water Oxidation Enabled by Low-Concentration, High-Valence Iridium Sites
Autor:
Xinjian Shi, Hong-Jie Peng, Thomas J. P. Hersbach, Yue Jiang, Yitian Zeng, Jihyun Baek, Kirsten T. Winther, Dimosthenis Sokaras, Xiaolin Zheng, Michal Bajdich
Publikováno v:
ACS Energy Letters. 7:2228-2235
Publikováno v:
The Journal of Physical Chemistry C. 126:7903-7909
Autor:
José A. Garrido Torres, Verena Streibel, Thomas Bligaard, Frank Abild-Pedersen, Meng Zhao, Kirsten T. Winther, Philomena Schlexer Lamoureux, Michal Bajdich
Publikováno v:
ChemCatChem. 11:3581-3601
Publikováno v:
Scientific Data, Vol 6, Iss 1, Pp 1-9 (2019)
Scientific Data
Scientific Data
A comprehensive database of chemical properties on a vast set of transition metal surfaces has the potential to accelerate the discovery of novel catalytic materials for energy and industrial applications. In this data descriptor, we present such an
Publikováno v:
The Journal of Physical Chemistry A. 123:2281-2285
We present a methodology for graph based enumeration of surfaces and unique chemical adsorption structures bonded to those surfaces. Utilizing the graph produced from a bulk structure, we create a unique graph representation for any general slab clea
Autor:
Xinjiang Cui, Tao Wang, Jens K. Nørskov, Kirsten T. Winther, Thomas Bligaard, Frank Abild-Pedersen
Publikováno v:
Wang, T, Cui, X, Winther, K T, Abild-Pedersen, F, Bligaard, T & Nørskov, J K 2021, ' Theory-Aided Discovery of Metallic Catalysts for Selective Propane Dehydrogenation to Propylene ', ACS Catalysis, vol. 11, no. 10, pp. 6290-6297 . https://doi.org/10.1021/acscatal.0c05711
The design of selective and stable catalysts is a major challenge in heterogeneous catalysis, also true for propane dehydrogenation (PDH), an on-purpose route to produce propylene. Identifying nonprecious catalysts to replace Pt used today is another
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4bde5775e841ef0cc75e44f274082393
https://orbit.dtu.dk/en/publications/35974e19-423b-40a8-94eb-067dd883f8a1
https://orbit.dtu.dk/en/publications/35974e19-423b-40a8-94eb-067dd883f8a1
Publikováno v:
npj Computational Materials, Vol 6, Iss 1, Pp 1-11 (2020)
Mamun, O, Winther, K T, Boes, J R & Bligaard, T 2020, ' A Bayesian framework for adsorption energy prediction on bimetallic alloy catalysts ', npj Computational Materials, vol. 6, no. 1, 177 . https://doi.org/10.1038/s41524-020-00447-8
Mamun, O, Winther, K T, Boes, J R & Bligaard, T 2020, ' A Bayesian framework for adsorption energy prediction on bimetallic alloy catalysts ', npj Computational Materials, vol. 6, no. 1, 177 . https://doi.org/10.1038/s41524-020-00447-8
For high-throughput screening of materials for heterogeneous catalysis, scaling relations provides an efficient scheme to estimate the chemisorption energies of hydrogenated species. However, conditioning on a single descriptor ignores the model unce
Autor:
Kirsten T. Winther, Christopher Paolucci, Ankit Jain, Joseph Montoya, Thomas Bligaard, José A. Garrido Torres, Raul A. Flores, Muratahan Aykol, Jens K. Nørskov, Michal Bajdich
Publikováno v:
Chemistry of Materials, vol 32, iss 13
Flores, R A, Paolucci, C, Winther, K T, Jain, A, Torres, J A G, Aykol, M, Montoya, J, Norskov, J K, Bajdich, M & Bligaard, T 2020, ' Active Learning Accelerated Discovery of Stable Iridium Oxide Polymorphs for the Oxygen Evolution Reaction ', Chemistry of Materials, vol. 32, no. 13, pp. 5854-5863 . https://doi.org/10.1021/acs.chemmater.0c01894
Flores, R A, Paolucci, C, Winther, K T, Jain, A, Torres, J A G, Aykol, M, Montoya, J, Norskov, J K, Bajdich, M & Bligaard, T 2020, ' Active Learning Accelerated Discovery of Stable Iridium Oxide Polymorphs for the Oxygen Evolution Reaction ', Chemistry of Materials, vol. 32, no. 13, pp. 5854-5863 . https://doi.org/10.1021/acs.chemmater.0c01894
The discovery of high-performing and stable materials for sustainable energy applications is a pressing goal in catalysis and materials science. Understanding the relationship between a material's structure and functionality is an important step in t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::19c15714258f96dadde2da4f6e2630c3
https://escholarship.org/uc/item/7kb252r0
https://escholarship.org/uc/item/7kb252r0