Open AccessImpact of Intrinsic Density Functional Theory Errors on the Predictive Power of Nitrogen Cycle Electrocatalysis Models
Author(s) -
Ricardo UrregoOrtiz,
Santiago Builes,
Federico CalleVallejo
Publication year - 2022
Publication title -
acs catalysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 4.898
H-Index - 198
ISSN - 2155-5435
DOI - 10.1021/acscatal.1c05333
Subject(s) - electrocatalyst , density functional theory , nitrogen , predictive power , catalysis , chemistry , materials science , computational chemistry , physics , quantum mechanics , biochemistry , electrochemistry , electrode , organic chemistry
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