Open AccessSubsurface Nitrogen Dissociation Kinetics in Lithium Metal from Metadynamics
Author(s) -
Thomas Ludwig,
Aayush R. Singh,
Jens K. Nørskov
Publication year - 2020
Publication title -
the journal of physical chemistry c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.401
H-Index - 289
eISSN - 1932-7455
pISSN - 1932-7447
DOI - 10.1021/acs.jpcc.0c09108
Subject(s) - metadynamics , chemistry , reaction rate constant , dissociation (chemistry) , thermodynamics , density functional theory , transition state theory , reaction rate , computational chemistry , chemical physics , catalysis , molecular dynamics , kinetics , physics , quantum mechanics , organic chemistry
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