Výsledky vyhledávání - "Heine A, Hansen"

Akademický článek

Unifying the ORR and OER with surface oxygen and extracting their intrinsic activities on platinum

Autor: Benedikt Axel Brandes, Yogeshwaran Krishnan, Fabian Luca Buchauer, Heine Anton Hansen, Johan Hjelm

Publikováno v: Nature Communications, Vol 15, Iss 1, Pp 1-12 (2024)

Abstract Common half-cell measurements deliver oxygen reduction activities linked to the chosen scan rate, limiting their value for fundamental and comparative studies on platinum. Here we show a deconvolution of the intrinsic kinetics from the effec

Externí odkaz: https://doaj.org/article/1bde7f6d145d43cfad4e0c944f87b803

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Akademický článek

Molecular understanding of the critical role of alkali metal cations in initiating CO2 electroreduction on Cu(100) surface

Autor: Zhichao Zhang, Hengyu Li, Yangfan Shao, Lin Gan, Feiyu Kang, Wenhui Duan, Heine Anton Hansen, Jia Li

Publikováno v: Nature Communications, Vol 15, Iss 1, Pp 1-9 (2024)

Abstract Molecular understanding of the solid–liquid interface is challenging but essential to elucidate the role of the environment on the kinetics of electrochemical reactions. Alkali metal cations (M+), as a vital component at the interface, are

Externí odkaz: https://doaj.org/article/11f90b2f53594504ae06a43fb28398e4

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Akademický článek

Cation-induced changes in the inner- and outer-sphere mechanisms of electrocatalytic CO2 reduction

Autor: Xueping Qin, Heine A. Hansen, Karoliina Honkala, Marko M. Melander

Publikováno v: Nature Communications, Vol 14, Iss 1, Pp 1-11 (2023)

Abstract The underlying mechanism of cation effects on CO2RR remains debated. Herein, we study cation effects by simulating both outer-sphere electron transfer (OS-ET) and inner-sphere electron transfer (IS-ET) pathways during CO2RR via constrained d

Externí odkaz: https://doaj.org/article/1aca3ddd42054a97b8b4e34611f8289d

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Akademický článek

Rapid mapping of alloy surface phase diagrams via Bayesian evolutionary multitasking

Autor: Shuang Han, Steen Lysgaard, Tejs Vegge, Heine Anton Hansen

Publikováno v: npj Computational Materials, Vol 9, Iss 1, Pp 1-14 (2023)

Abstract Surface phase diagrams (SPDs) are essential for understanding the dependence of surface chemistry on reaction condition. For multi-component systems such as metal alloys, the derivation of such diagrams often relies on separate first-princip

Externí odkaz: https://doaj.org/article/59c7efe14a5242d7b1d95808c9e241eb

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Akademický článek

Unfolding the structural stability of nanoalloys via symmetry-constrained genetic algorithm and neural network potential

Autor: Shuang Han, Giovanni Barcaro, Alessandro Fortunelli, Steen Lysgaard, Tejs Vegge, Heine Anton Hansen

Publikováno v: npj Computational Materials, Vol 8, Iss 1, Pp 1-11 (2022)

Abstract The structural stability of nanoalloys is a challenging research subject due to the complexity of size, shape, composition, and chemical ordering. The genetic algorithm is a popular global optimization method that can efficiently search for

Externí odkaz: https://doaj.org/article/fe66faa0e2fb4934a9f6cfaf5eee63ee

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Akademický článek

Cation insertion to break the activity/stability relationship for highly active oxygen evolution reaction catalyst

Autor: Chunzhen Yang, Gwenaëlle Rousse, Katrine Louise Svane, Paul E. Pearce, Artem M. Abakumov, Michael Deschamps, Giannantonio Cibin, Alan V. Chadwick, Daniel Alves Dalla Corte, Heine Anton Hansen, Tejs Vegge, Jean-Marie Tarascon, Alexis Grimaud

Publikováno v: Nature Communications, Vol 11, Iss 1, Pp 1-10 (2020)

Renewable hydrogen production from water will require understanding and improving the oxygen evolution reaction (OER) on catalyst surfaces. Here, authors report α-Li2IrO3 to transform into a hydrated birnessite phase under OER conditions that exhibi

Externí odkaz: https://doaj.org/article/eeb987e42b514712875aa7f209562b31

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Trends in high-temperature H2 production on CeO2 Co-doped with trivalent cations in solid oxide electrolysis cells

Autor: Tiantian Wu, Tejs Vegge, Heine Anton Hansen

Publikováno v: Wu, T, Vegge, T & Anton Hansen, H 2023, ' Trends in High-Temperature H 2 Production on CeO 2 Co-Doped with Trivalent Cations in Solid Oxide Electrolysis Cells ', Journal of Catalysis, vol. 420, pp. 1-8 . https://doi.org/10.1016/j.jcat.2023.02.010

CeO2-based catalysts incorporated with cooperative dopants show excellent potential for promoting H2 production via the water-splitting reaction (WSR) in solid oxide electrolysis cells (SOECs). Here, we report that CeO2 co-doped with Gd+Sb, Pr+Sb, an

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8c522e2581639f872357fef21d786a66
https://doi.org/10.1016/j.jcat.2023.02.010

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