Electronic conduction during the formation stages of a single-molecule junction

• Atindra Nath Pal,
• Tal Klein,
• Ayelet Vilan and
• Oren Tal

Beilstein J. Nanotechnol. 2018, 9, 1471–1477, doi:10.3762/bjnano.9.138

• scenarios in which a single-molecule junction is formed. Future control over such processes may pave the way for directed formation of preferred junction structures. Keywords: break junction; electron–vibration interactions; electronic transport; inelastic electron tunneling spectroscopy; molecular

Thermoelectricity in molecular junctions with harmonic and anharmonic modes

• Bijay Kumar Agarwalla,
• Jian-Hua Jiang and
• Dvira Segal

Beilstein J. Nanotechnol. 2015, 6, 2129–2139, doi:10.3762/bjnano.6.218

• nondiagonal (or nonlocal) as well as diagonal (local) electron–vibration interactions [15]. Here, in contrast, we simplify the junction model and omit the contribution of direct tunneling between the D and A units. This simplification allows us to derive a closed (perturbative) expression for the cumulant

• functions, which we provide here for the HO and the AH models, valid under the approximation of weak electron–vibration interactions. From the CGFs, we derive expressions for charge and heat currents, and study the linear and nonlinear thermoelectric performance of the junctions. Focusing on the role of