Zobrazeno 1 - 10
of 86
pro vyhledávání: '"Jakub, Zdenek"'
Autor:
Kraushofer, Florian, Meier, Matthias, Jakub, Zdeněk, Hütner, Johanna, Balajka, Jan, Hulva, Jan, Schmid, Michael, Franchini, Cesare, Diebold, Ulrike, Parkinson, Gareth S.
Publikováno v:
Journal of Physical Chemistry C Letters, 14 (2023) 3258 - 3265
The (111) facet of magnetite (Fe$_3$O$_4$) has been studied extensively by experimental and theoretical methods, but controversy remains regarding the structure of its low-energy surface terminations. Using density functional theory (DFT) computation
Externí odkaz:
http://arxiv.org/abs/2308.12023
Autor:
Redondo, Jesus, Reticcioli, Michele, Gabriel, Vit, Wrana, Dominik, Ellinger, Florian, Riva, Michele, Franceschi, Giada, Rheinfrank, Erik, Sokolovic, Igor, Jakub, Zdenek, Kraushofer, Florian, Alexander, Aji, Patera, Laerte L., Repp, Jascha, Schmid, Michael, Diebold, Ulrike, Parkinson, Gareth S., Franchini, Cesare, Kocan, Pavel, Setvin, Martin
In polarizable materials, electronic charge carriers interact with the surrounding ions, leading to quasiparticle behaviour. The resulting polarons play a central role in many materials properties including electrical transport, optical properties, s
Externí odkaz:
http://arxiv.org/abs/2303.17945
Autor:
Meier, Matthias, Hulva, Jan, Jakub, Zdenek, Kraushofer, Florian, Bobić, Mislav, Bliem, Roland, Setvin, Martin, Schmid, Michael, Diebold, Ulrike, Franchini, Cesare, Parkinson, Gareth S.
Publikováno v:
Science Advances 8 (13), eabn4580, 2022
Heterogeneous catalysts based on sub-nanometer metal clusters often exhibit strongly size-dependent properties, and the addition or removal of a single atom can make all the difference. Identifying the most active species and deciphering the reaction
Externí odkaz:
http://arxiv.org/abs/2209.04222
Autor:
Kraushofer, Florian, Haager, Lena, Eder, Moritz, Rafsanjani-Abbasi, Ali, Jakub, Zdeněk, Franceschi, Giada, Riva, Michele, Meier, Matthias, Schmid, Michael, Diebold, Ulrike, Parkinson, Gareth S.
Publikováno v:
ACS energy letters 7 (1), 375-380, 2021
Oxide-supported single-atom catalysts are commonly modelled as a metal atom substituting surface cation sites in a low-index surface. Adatoms with dangling bonds will inevitably coordinate molecules from the gas phase, and adsorbates such as water ca
Externí odkaz:
http://arxiv.org/abs/2209.04211
Autor:
Jakub, Zdenek, Meier, Matthias, Kraushofer, Florian, Balajka, Jan, Pavelec, Jiri, Schmid, Michael, Franchini, Cesare, Diebold, Ulrike, Parkinson, Gareth S.
Publikováno v:
Nature communications 12 (1), 1-8, 2021
Oxygen exchange at oxide/liquid and oxide/gas interfaces is important in technology and environmental studies, as it is closely linked to both catalytic activity and material degradation. The atomic-scale details are mostly unknown, however, and are
Externí odkaz:
http://arxiv.org/abs/2209.04205
Autor:
Sombut, Panukorn, Puntscher, Lena, Atzmueller, Marlene, Jakub, Zdenek, Reticcioli, Michele, Meier, Matthias, Parkinson, Gareth S., Franchini, Cesare
The local environment of metal-oxide supported single-atom catalysts plays a decisive role in the surface reactivity and related catalytic properties. The study of such systems is complicated by the presence of point defects on the surface, which are
Externí odkaz:
http://arxiv.org/abs/2204.06991
Autor:
Kraushofer, Florian, Resch, Nikolaus, Eder, Moritz, Rafsanjani-Abbasi, Ali, Tobisch, Sarah, Jakub, Zdenek, Franceschi, Giada, Riva, Michele, Meier, Matthias, Schmid, Michael, Diebold, Ulrike, Parkinson, Gareth S.
Publikováno v:
Advanced Materials Interfaces 8, 2001908 (2021)
Iron oxides (FeOx) are among the most common support materials utilized in single atom catalysis. The support is nominally Fe2O3, but strongly reductive treatments are usually applied to activate the as-synthesized catalyst prior to use. Here, we stu
Externí odkaz:
http://arxiv.org/abs/2109.13084
Autor:
Hulva, Jan, Meier, Matthias, Bliem, Roland, Jakub, Zdenek, Kraushofer, Florian, Schmid, Michael, Diebold, Ulrike, Franchini, Cesare, Parkinson, Gareth S.
Publikováno v:
Science 371, 375-379 (2021)
Understanding how the local environment of a single-atom catalyst affects stability and reactivity remains a significant challenge. We present an in-depth study of Cu1, Ag1, Au1, Ni1, Pd1, Pt1, Rh1, and Ir1 species on Fe3O4(001); a model support wher
Externí odkaz:
http://arxiv.org/abs/2109.12977
Autor:
Mirabella, Francesca, Muellner, Matthias, Touzalin, Thomas, Riva, Michele, Jakub, Zdenek, Kraushofer, Florian, Schmid, Michael, Koper, Marc T. M., Parkinson, Gareth S., Diebold, Ulrike
Publikováno v:
Electrochimica Acta 389, 138638 (2021)
Electrochemical water splitting is an environmentally friendly technology to store renewable energy in the form of chemical fuels. Among the earth-abundant first-row transition metal-based catalysts, mixed Ni-Fe oxides have shown promising performanc
Externí odkaz:
http://arxiv.org/abs/2109.12861
Autor:
Kraushofer, Florian, Mirabella, Francesca, Xu, Jian, Pavelec, Jiří, Balajka, Jan, Müllner, Matthias, Resch, Nikolaus, Jakub, Zdeněk, Hulva, Jan, Meier, Matthias, Schmid, Michael, Diebold, Ulrike, Parkinson, Gareth S.
Atomic-scale investigations of metal oxide surfaces exposed to aqueous environments are vital to understand degradation phenomena (e.g. dissolution and corrosion) as well as the performance of these materials in applications. Here, we utilize a new e
Externí odkaz:
http://arxiv.org/abs/1908.10619