Zobrazeno 1 - 10
of 11
pro vyhledávání: '"Elisabeth M. Dietze"'
Autor:
Elisabeth M. Dietze, Henrik Grönbeck
Publikováno v:
Journal of Chemical Theory and Computation. 19:1044-1049
Autor:
Sabrina M. Gericke, Johan Zetterberg, Elisabeth M. Dietze, Dorotea Gajdek, Fernando Garcia-Martinez, Stefano Albertin, Edvin Lundgren, Henrik Grönbeck, Lindsay R. Merte, Frederik Schiller, J. Enrique Ortega
Publikováno v:
Addi. Archivo Digital para la Docencia y la Investigación
instname
Digital.CSIC. Repositorio Institucional del CSIC
The Journal of Physical Chemistry Letters
instname
Digital.CSIC. Repositorio Institucional del CSIC
The Journal of Physical Chemistry Letters
Steps at metal surfaces may influence energetics and kinetics of catalytic reactions in unexpected ways. Here, we report a significant reduction of the CO saturation coverage in Pd vicinal surfaces, which in turn is relevant for the light-off of the
Publikováno v:
The Journal of Physical Chemistry C. 123:25464-25469
In this work, we use density functional theory (DFT) to study cuboctahedral, octahedral and cubic nanoparticles of the late transition metals as well as Al and Mg in order to identify their stabili...
Autor:
Emmett D. Goodman, Aaron C. Johnston-Peck, Adam S. Hoffman, Matteo Cargnello, Frank Abild-Pedersen, Simon R. Bare, Philipp N. Plessow, Elisabeth M. Dietze, Cody J. Wrasman
Publikováno v:
Nature Catalysis. 2:748-755
In the high-temperature environments needed to perform catalytic processes, supported precious metal catalysts severely lose their activity over time. Even brief exposure to high temperatures can lead to significant losses in activity, which forces m
Publikováno v:
The Journal of Physical Chemistry C. 123:20443-20450
Interfaces play an important role in heterogeneous catalysis where oxides are typically used as supports to stabilize catalytically active transition metal particles and to tune their electronic pr...
Publikováno v:
The Journal of Physical Chemistry C. 122:26563-26569
We introduce a kinetic Monte Carlo (kMC) based model that can simulate migration of different size Pt nanoparticles on supports with point defects. Diffusion constants are obtained from 3D-lattice kMC simulations based on activation energies calculat
Autor:
Matteo Cargnello, Emmett D. Goodman, Evan Carlson, Aisulu Aitbekova, Temy Nguyen Taylor, Nadia Tahsini, Arun Johnson, Philipp N. Plessow, Elisabeth M. Dietze
Publikováno v:
Nanoscale, 13 (2), 930-938
A major aim in the synthesis of nanomaterials is the development of stable materials for high-temperature applications. Although the thermal coarsening of small and active nanocrystals into less active aggregates is universal in material deactivation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::397d0deb504dc2bf654e0bbad3d35e6e
https://publikationen.bibliothek.kit.edu/1000129841/149627790
https://publikationen.bibliothek.kit.edu/1000129841/149627790
Autor:
Philipp N. Plessow, Daniel Curulla-Ferré, Lennart Joos, Bart Vandegehuchte, Amir Hossein Hakimioun, Elisabeth M. Dietze, Felix Studt
Publikováno v:
Catalysis letters, 151, 3165–3169
This study evaluates the finite size effect on the oxygen adsorption energy of coinage metal (Cu, Ag and Au) cuboctahedral nanoparticles in the size range of 13 to 1415 atoms (0.7–3.5 nm in diameter). Trends in particle size effects are well descri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::58630f0f9bf69b42db98068a34ebd637
Autor:
Henrik Grönbeck, Elisabeth M. Dietze
Publikováno v:
Chemphyschem
Density functional theory calculations of atomic and molecular adsorption on (111) and (100) metal surfaces reveal marked surface and structure dependent effects of strain. Adsorption in three‐fold hollow sites is found to be destabilized by compre
Autor:
Emmett D, Goodman, Aaron C, Johnston-Peck, Elisabeth M, Dietze, Cody J, Wrasman, Adam S, Hoffman, Frank, Abild-Pedersen, Simon R, Bare, Philipp N, Plessow, Matteo, Cargnello
Publikováno v:
Nature catalysis. 2
In the high-temperature environments needed to perform catalytic processes, supported precious metal catalysts severely lose their activity over time. Even brief exposure to high temperatures can lead to significant losses in activity, which forces m