Table 1 Summary of the relevant parameters and of the corresponding default values assumed for the numerical simulations performed in this work, chosen consistently with ref.17. Here e.c.p. is a short-hand notation for electrochemical potential.
Parameter | Description | Value | Parameter | Description | Value |
|---|---|---|---|---|---|
\({\epsilon }_{Q0}\) | electron binding energy on \({\rm{PQ}}\) | \(280\ \)meV | \({E}_{Q0}\) | proton binding energy on \({\rm{PQ}}\) | \(822\ \)meV |
\({\mu }_{Fd}\) | e.c.p. of Fd pool | \(410\ \)meV | \({\mu }_{Pc}\) | e.c.p. of Pc pool | \(-440\ \)meV |
\({\mu }_{N}\) | e.c.p. of N-side protons | \(-75\ \)meV | \({\mu }_{P}\) | e.c.p. of P-side protons | \(75\ \)meV |
\({\epsilon }_{L}^{{\rm{^{\prime} }}}\) | Site L electron binding energy | \(360\ \)meV | \({\epsilon }_{H}^{{\rm{^{\prime} }}}\) | Site H electron binding energy | \(220\ \)meV |
\({\epsilon }_{A}^{{\rm{^{\prime} }}}\) | Site A electron binding energy | \(465\ \)meV | \({\epsilon }_{B}^{{\rm{^{\prime} }}}\) | Site B electron binding energy | \(-495\ \)meV |
\({\Delta }_{AQ}\) | A-\({\rm{PQ}}\)tunneling rate | \(0.10\ \)meV | \({\Delta }_{BQ}\) | B-\({\rm{PQ}}\)tunneling rate | \(0.10\ \)meV |
\({\Delta }_{LQ}\) | L-\({\rm{PQ}}\)tunneling rate | \(0.06\ \)meV | \({\Delta }_{HQ}\) | H-\({\rm{PQ}}\)tunneling rate | \(0.06\ \)meV |
\({\Delta }_{LH}\) | L-H tunneling rate | \(0.10\ \)meV | \({\lambda }_{AQ}\) | A-\({\rm{PQ}}\)reorganization energy | \(100\ \)meV |
\({\lambda }_{BQ}\) | B-\({\rm{PQ}}\)reorganization energy | \(100\ \)meV | \({\lambda }_{LQ}\) | L-\({\rm{PQ}}\)reorganization energy | \(100\ \)meV |
\({\lambda }_{HQ}\) | H-\({\rm{PQ}}\)reorganization energy | \(100\ \)meV | \({\lambda }_{LH}\) | L-H reorganization energy | \(250\ \)meV |
\({V}_{P}\) | surface potential on P-side | \(140\ \)meV | \({V}_{N}\) | surface potential on N-side | \(120\ \)meV |
\({U}_{ee}\) | electron repulsion energy on \({\rm{PQ}}\) | \(305\ \)meV | \({U}_{pp}\) | proton repulsion energy on \({\rm{PQ}}\) | \(76.30\ \)meV |
\({U}_{ep}\) | electron-proton attraction energy | \(610\ \)meV | \({U}_{LH}\) | L-H electron repulsion energy | \(240\ \)meV |
\({\gamma }_{Fd}\) | Fd pool electron transfer rate | \(1{0}^{-4}\ \)meV | \({\gamma }_{Pc}\) | Pc pool electron transfer rate | \(1{0}^{-4}\ \)meV |
\({\Gamma }_{P}\) | P-side proton transfer rate | \(0.002\ \)meV | \({\Gamma }_{N}\) | N-side proton transfer rate | \(0.002\ \)meV |
\({U}_{ch0}\) | hydrophobic confining energy | \(770\ \)meV | \({U}_{w0}\) | membrane confining energy | \(500\ \)meV |
\({x}_{ch}\) | hydrophobic confining position | \(1.70\ \)nm | \({x}_{w}\) | membrane confining position | \(2.70\ \)nm |
\({l}_{ch}\) | hydrophobic confining length | \(0.05\ \)nm | \({l}_{w}\) | membrane confining length | \(0.10\ \)nm |
\({l}_{p}\) | proton coupling decay length | \(0.25\ \)nm | \({l}_{e}\) | electron coupling decay length | \(0.25\ \)nm |
\(T\) | temperature | \(25\ \)meV | \(\zeta \) | drag coefficient | \(8.55\ \frac{\,{\rm{meV}}\mu {\rm{s}}}{{{\rm{nm}}}^{2}}\) |
