5 citations · 8 across the 5 of their papers we have counts for
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cond-mat.mtrl-sci2017★ 5 cited
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…
cond-mat.mtrl-sci2017★ 2 cited
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…