Can room-temperature data for tunneling molecular junctions be analyzed within a theoretical framework assuming zero temperature?

Routinely, experiments on tunneling molecular junctions report values of conductances ( G RT ) and currents ( I RT ) measured at room temperature. On the other hand, theoretical approaches based on simplified models provide analytic formulas for the conductance ( G 0K ) and current ( I 0K ) valid at zero temperature. Therefore, interrogating the applicability of the theoretical results deduced in the zero-temperature limit to real experimental situations at room temperature ( i.e. , G RT ≈ G 0K and I RT ≈ I 0K ) is a relevant aspect. Quantifying the pertaining temperature impact on the transport properties computed within the ubiquitous single-level model with Lorentzian transmission is the specific aim of the present work. Comprehensive results are presented for broad ranges of the relevant parameters (level's energy offset ε 0 and width Γ a , and applied bias V ) that safely cover values characterizing currently fabricated junctions. They demonstrate that the strongest thermal effects occur at biases below resonance (2| ε 0 | - δ ε 0 - 0.3 ≲ | eV | - 0.3 ≲ 2| ε 0 |). At fixed V , they affect an ε 0 -range whose largest width δ ε 0 is about nine times larger than the thermal energy (δ ε 0 ≈ 3π k B T ) at Γ a → 0. The numerous figures included aim to convey a quick overview on the applicability of the zero-temperature limit to a specific real junction. In quantitative terms, the conditions of applicability are expressed as mathematical inequalities involving elementary functions. They constitute the basis of a proposed interactive data-fitting procedure, which aims to guide experimentalists interested in data processing in a specific case.