Zobrazeno 1 - 8
of 8
pro vyhledávání: '"David Mahlberg"'
Publikováno v:
The Journal of Physical Chemistry C. 124:27604-27613
We have performed density functional theory calculations to explore the possibility to overcome the linear scaling relations in the oxygen reduction reaction (ORR) using local inhomogeneities on Pt...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ed439911314f7e1b0968f4a9a85567db
https://doi.org/10.1021/acs.jpcc.0c09548
https://doi.org/10.1021/acs.jpcc.0c09548
Bimetallic surfaces allow tailoring their catalytic activity by modifying their composition and/or structure. However, under operating conditions, catalytically active bimetallic structures are often not stable and change their morphology which might
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7cf2589bb12369b73ca8cfe4b195ed36
https://doi.org/10.33774/chemrxiv-2021-shxvw
https://doi.org/10.33774/chemrxiv-2021-shxvw
Autor:
David Mahlberg, Axel Groß
Publikováno v:
ChemPhysChem, 22 (1), 29–39
Chemphyschem
Chemphyschem
Vacancies matter: metal atoms can typically only change places in metals through vacancy-assisted diffusion. Here we address the diffusion in single-atom surface alloys by performing kinetic Monte Carlo simulations based on density functional theory
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::719174f59b2794df64c99d010827d9c1
Publikováno v:
Chemical Physics. 555:111428
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4ef7145349aecf167fa51cc548d800fa
https://doi.org/10.1016/j.chemphys.2021.111428
https://doi.org/10.1016/j.chemphys.2021.111428
Publikováno v:
Journal of chemical theory and computation. 15(5)
Over the past years, density functional theory (DFT) became a widely approved and successful method for calculating properties of various materials and molecules. Especially suited for systems with delocalized electrons like metals, the efficient tre
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c466bf5f392460bbe19218edac380424
https://pubmed.ncbi.nlm.nih.gov/30964999
https://pubmed.ncbi.nlm.nih.gov/30964999
Autor:
David Mahlberg, Axel Groß
Publikováno v:
ChemPhysChem. 22:2-2
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ddf632e04af603c9f2f307bfa9e0aa8b
https://doi.org/10.1002/cphc.202001004
https://doi.org/10.1002/cphc.202001004
The adsorption of water on bimetallic PtRu/Pt(111) surface alloys has been studied based on periodic density functional theory calculations including dispersion corrections. The Ru atoms of the PtRu surface alloy interact more strongly with water tha
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cc0251aef95c9edf5cf938b6a34a8733
https://europepmc.org/articles/PMC5095452/
https://europepmc.org/articles/PMC5095452/
Publikováno v:
Forum Médical Suisse ‒ Swiss Medical Forum. 14
Eine bis anhin korperlich voll belastbare 49-jahrige Patientin stellte sich beim Hausarzt wegen neu aufgetretener Nausea mit rezidivierendem Erbrechen und starkem Schwitzen vor. Im EKG der Hausarztpraxis zeigten sich ST-Hebungen in den Ableitungen II
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::79a307241166cba7457fc3627b117c05
https://doi.org/10.4414/fms.2014.01735
https://doi.org/10.4414/fms.2014.01735