Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Laura Braunwarth"'
Autor:
Björn Kirchhoff, Christoph Jung, Daniel Gaissmaier, Laura Braunwarth, Donato Fantauzzi, Timo Jacob
Publikováno v:
Physical Chemistry Chemical Physics. 25:13228-13243
This tutorial-review article introduces and compares various ways of analyzing simulations of nanoparticle model systems. Code examples are provided via an online tutorial.
Publikováno v:
The Journal of Physical Chemistry C. 125:24663-24670
The interface between liquid water and the Pt(111) metal surface is characterized structurally and thermodynamically via reactive molecular dynamics (MD) simulations within the ReaxFF framework. The formation of a distinct buckled adsorbate layer and
Publikováno v:
ChemPhysChem, 24 (1), Art.-Nr.: e202200336
The interface between an electrode and an electrolyte is where electrochemical processes take place for countless technologically important applications. Despite its high relevance and intense efforts to elucidate it, a description of the interfacial
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2779e3b77ecf02c9c1d2d1522f17f4aa
Autor:
Donato Fantauzzi, Bjoern Kirchhoff, Christoph Jung, Laura Braunwarth, Timo Jacob, Hannes Jónsson
Publikováno v:
Small, 16 (5), Art.Nr. 1905159
Publisher's version (útgefin grein)
Improved understanding of the fundamental processes leading to degradation of platinum nanoparticle electrocatalysts is essential to the continued advancement of their catalytic activity and stability. To thi
Improved understanding of the fundamental processes leading to degradation of platinum nanoparticle electrocatalysts is essential to the continued advancement of their catalytic activity and stability. To thi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::45dfc20d7065d15e551db945f5b87507
Publikováno v:
Journal of chemical theory and computation. 15(11)
In order to study the time-dependent behavior of catalytic systems during operation, we have developed a grand canonical molecular dynamics approach based on the ReaxFF reactive force-field framework. After describing the details of the implementatio
Autor:
Donato Fantauzzi, Christoph Jung, Timo Jacob, Björn Kirchhoff, Laura Braunwarth, Hannes Jónsson
Publikováno v:
Small. 16:2070027