18 citations · 39 across the 5 of their papers we have counts for
5 papers
Mechanistic Insights into Li+ Transport Enabled by Isolated Sulfur Species in Li3PS4 Glasses
J. Pawelko, X. Rocquefelte, A. Tetenoire +3
All-solid-state lithium-ion batteries have renewed interest in high-performance solid electrolytes. Li3PS4 (Li2S-P2S5) glasses are among the most studied due to their high ionic co…
Disentangling the Role of Electrons and Phonons in the Photoinduced CO Desorption and CO Oxidation on (O,CO)-Ru(0001)
Auguste Tetenoire, J. I. Juaristi, M. Alducin
The role played by electronic and phononic excitations in the femtosecond laser induced desorption and oxidation of CO coadsorbed with O on Ru(0001) is investigated using ab initio…
Photo-Induced CO Desorption Dominates over Oxidation on Different O+CO Covered Ru(0001) Surfaces
Auguste Tetenoire, J. Iñaki Juaristi, Maite Alducin
The photo-induced desorption and oxidation of CO on Ru(0001) is simulated using ab initio molecular dynamics with electronic friction that accounts for the non-equilibrated excited…
Why Ultrafast Photo-induced CO Desorption Dominates over Oxidation on Ru(0001)
Auguste Tetenoire, Christopher Ehlert, J. I. Juaristi +2
CO oxidation on Ru(0001) is a long-standing example of a reaction that, being thermally forbidden in ultra-high vacuum, can be activated by femtosecond laser pulses. In spite of it…
Insights into the Coadsorption and Reactivity of O and CO on Ru(0001) and Their Coverage Dependence
Auguste Tetenoire, J. Iñaki Juaristi, Maite Alducin
Using density functional theory and an exchange-correlationfunctional that includes the van der Waals interaction, we study the coadsorption of CO on Ru(0001) saturated with 0.5 ML…