16 citations · 19 across the 7 of their papers we have counts for
11 papers · 1 filter
The morphology and interface structure of titanium on graphene
Joachim Dahl Thomsen, Wissam A. Saidi, Kate Reidy +4
Titanium (Ti) is an adhesion and contact metal commonly used in nanoelectronics and two-dimensional (2D) materials research. However, when Ti is deposited on graphene (Gr), we obta…
Exploring the formation of gold/silver nanoalloys with gas-phase synthesis and machine-learning assisted simulations
Quentin Gromoff, Patrizio Benzo, Wissam A. Saidi +6
While nanoalloys are of paramount scientific and practical interests, the main processes leading to their formation are still poorly understood. Key structural features in the allo…
Atomic scale understanding of initial Cu-Ni oxidation from machine-learning accelerated first-principles simulations and in situ TEM experiments
Pandu Wisesa, Meng Li, Matthew T. Curnan +3
The development of accurate methods for determining how alloy surfaces spontaneously restructure under reactive and corrosive environments is a key, long-standing, grand challenge…
Convergence Acceleration in Machine Learning Potentials for Atomistic Simulations
Dylan Bayerl, Christopher M. Andolina, Shyam Dwaraknath +1
Machine learning potentials (MLPs) for atomistic simulations have an enormous prospective impact on materials modeling, offering orders of magnitude speedup over density functional…
Atomistic mechanisms of binary alloy surface segregation from nanoseconds to seconds using accelerated dynamics
Richard B. Garza, Jiyoung Lee, Mai H. Nguyen +6
Although the equilibrium composition of many alloy surfaces is well understood, the rate of transient surface segregation during annealing is not known, despite its crucial effect…
Revisiting Trends in the Exchange Current for Hydrogen Evolution
Timothy T. Yang, Rituja B. Patil, James R. McKone +1
Nørskov and collaborators proposed a simple kinetic model to explain the volcano relation for the hydrogen evolution reaction on transition metal surfaces in such that $ j_0= k_0 f…