2 papers
physics.chem-ph2026
Atomistic Modeling for Electro-chemical Reactions
K. Doblhoff-Dier, B. Ballotta, L. Bonati +16
Computational modeling plays a central role in advancing our understanding of electro-chemical reactions and may thus guide the rational development of sustainable energy technolog…
cond-mat.mtrl-sci2015
Fingerprints of energy dissipation for exothermic surface chemical reactions: O on Pd(100)
Vanessa Jane Bukas, Shubhrajyoti Mitra, Joerg Meyer +1
We present first-principles calculations of the sticking coefficient of O at Pd(100) to assess the effect of phononic energy dissipation on this kinetic parameter. For this we…