Open AccessDensity Functional Theory Modeling of the Oxidation Mechanism of Co(II) by Birnessite
Author(s) -
Alain Manceau,
Stephan N. Steinmann
Publication year - 2022
Publication title -
acs earth and space chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.876
H-Index - 19
ISSN - 2472-3452
DOI - 10.1021/acsearthspacechem.2c00122
Subject(s) - birnessite , octahedron , density functional theory , chemistry , manganese , vacancy defect , crystallography , cobalt , inorganic chemistry , sorption , crystal structure , computational chemistry , adsorption , manganese oxide , organic chemistry
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom