Open AccessImproving accuracy and reducing computational cost in <em>ab initio</em> simulations of aqueous-interfaces for photocatalysis and electrochemistry (Final Report)
Author(s) -
Mariví Fernández-Serra
Publication year - 2022
Publication title -
osti oai (u.s. department of energy office of scientific and technical information)
Language(s) - English
Resource type - Reports
DOI - 10.2172/1854254
Subject(s) - aqueous solution , electrochemistry , photocatalysis , ab initio , chemistry , computational chemistry , materials science , catalysis , electrode , biochemistry , organic chemistry
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