56 citations · 57 across the 4 of their papers we have counts for
Showing 2012Show all
2 papers · 1 filter
cond-mat.mtrl-sci2012
Energy Level Alignment in Organic-Organic Heterojunctions: The TTF-TCNQ Interface
Juan I. Beltrán, Fernando Flores, José I. Martínez +1
The energy level alignment of the two organic materials forming the TTF-TCNQ interface is analyzed by means of a local orbital DFT calculation, including an appropriate correction…
cond-mat.mtrl-sci2012★ 56 cited
Non-adiabatic effects during the dissociative adsorption of O2 at Ag(111)? A first-principles divide and conquer study
Itziar Goikoetxea, Juan Beltrán, Jörg Meyer +3
We study the gas-surface dynamics of O2 at Ag(111) with the particular objective to unravel whether electronic non-adiabatic effects are contributing to the experimentally establis…