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Comment on "A single level tunneling model for molecular junctions: evaluating the simulation methods" by E. M. Opodi, X. Song, X. Yu and W. Hu, Phys. Chem. Chem. Phys. , 2022, 24 , 11958".

Ioan Bâldea
Published in: Physical chemistry chemical physics : PCCP (2024)
The present Comment demonstrates important flaws of the paper Opodi et al. Phys. Chem. Chem. Phys. , 2022, 24 , 11958 Their crown result ("applicability map") aims at indicating parameter ranges wherein two approximate methods (called method 2 and 3) apply. My calculations reveal that the applicability map is a factual error. Deviations of I 2 from the exact current I 1 do not exceed 3% for model parameters where Opodi et al. claimed that method 2 is inapplicable. As for method 3, the parameter range of the applicability map is beyond its scope, as stated in papers cited by Opodi et al. themselves.
Keyphrases
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  • genome wide