TY - JOUR

T1 - Noise and thermodynamic uncertainty relation in "underwater" molecular junctions

AU - Kirchberg, Henning

AU - Nitzan, Abraham

N1 - Publisher Copyright:
© 2022 Author(s).

PY - 2022/11/14

Y1 - 2022/11/14

N2 - We determine the zero-frequency charge current noise in a metal-molecule-metal junction embedded in a thermal environment, e.g., a solvent, dominated by sequential charge transmission described by a classical master equation, and we study the dependence of specific model parameters, i.e., the environmental reorganization energy and relaxation behavior. Interestingly, the classical current noise term has the same structure as its quantum analog, which reflects a charge correlation due to the bridging molecule. We further determine the thermodynamic uncertainty relation (TUR) defininig a bound on the relationship between the average charge current, its fluctuation, and the entropy production in an electrochemical junction in the Marcus regime. In the second part, we use the same methodology to calculate the current noise and the TUR for a protoype photovoltaic cell in order to predict its upper bound for the efficiency of energy conversion into useful work.

AB - We determine the zero-frequency charge current noise in a metal-molecule-metal junction embedded in a thermal environment, e.g., a solvent, dominated by sequential charge transmission described by a classical master equation, and we study the dependence of specific model parameters, i.e., the environmental reorganization energy and relaxation behavior. Interestingly, the classical current noise term has the same structure as its quantum analog, which reflects a charge correlation due to the bridging molecule. We further determine the thermodynamic uncertainty relation (TUR) defininig a bound on the relationship between the average charge current, its fluctuation, and the entropy production in an electrochemical junction in the Marcus regime. In the second part, we use the same methodology to calculate the current noise and the TUR for a protoype photovoltaic cell in order to predict its upper bound for the efficiency of energy conversion into useful work.

UR - http://www.scopus.com/inward/record.url?scp=85141985886&partnerID=8YFLogxK

U2 - 10.1063/5.0125086

DO - 10.1063/5.0125086

M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???

C2 - 36379800

AN - SCOPUS:85141985886

SN - 0021-9606

VL - 157

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 18

M1 - 184304

ER -