229 citations · 880 across the 29 of their papers we have counts for
4 papers · 1 filter
Assessment of approaches for dispersive forces employing graphone as a case study
Magdalena Birowska, Maciej Marchwiany, Claudia Draxl +1
We have studied two interchange layer systems, (i) free standing partly hydrogenated graphene (graphone), and (ii) graphone on the Nickel (111) surface, to assess various density f…
Ab initio studies of carbon dioxide affinity to carbon compounds and minerals
Mateusz Wlazło, Alexandra Siklitskaya, Jacek A. Majewski
We have performed quantum chemical computational studies to determine carbon dioxide affinity to carbon compounds and minerals, which could be present in shales. These studies shed…
Free energy landscape of dissociative adsorption of methane on ideal and defected graphene from ab initio simulations
Mateusz Wlazło, Jacek A. Majewski
We study the dissociative adsorption of methane at the surface of graphene. Free energy profiles, which include activation energies for different steps of the reaction, are compute…
Evaluation of commercial nickel-phosphorus coating for ultracold neutron guides using a pinhole bottling method
R. W. Pattie, E. Adamek, T. Brenner +24
We report on the evaluation of commercial electroless nickel phosphorus (NiP) coatings for ultracold neutron (UCN) transport and storage. The material potential of 50~m thick Ni…