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Introduction (2) Experimental background: Test beds (8) Theoretical approaches: A microscopic model(10) The electron-phonon coupling(14)Time and energy scales(15) Theoretical methods(19)Numerical calculations(28) Incoherent vs. coherent transport (28) Inelastic tunneling spectroscopy: Experimental background(31) Theoretical considerations:the weak coupling limit(36) Theoretical considerations: moderately strong coupling(41)Comparison of approximation schemes(48)Asymmetry in IETS(51)The origin of dips in IETS signals(53)Computational approaches (56) Effects of electron-electron(e-e)interactions (63) Noise (66) Non-linear conductance phenomena (73) Heating and heat conduction: General considerations(77) Heat generation(81) Heat conduction(85) Junction temperature(88) Current induced reactions (91) Summary and outlook (91)
We present a combined theoretical approach to study the nonequilibrium transport properties of nanoscale systems coupled to metallic electrodes and exhibiting strong electron-phonon interactions. We use the Keldysh Green function formalism to general
Motivated by recent experimental observation (see e.g., I.V.Rubtsov, Acc. Chem. Res., v. 42, 1385 (2009)) of vibrational energy transport in CH_2O_N and CF_2_N molecular chains (N = 4 - 12), in this paper we present and solve analytically a simple on
We propose a very accurate computational scheme for the dynamics of a classical oscillator coupled to a molecular junction driven by a finite bias, including the finite mass effect. We focus on two minimal models for the molecular junction: Anderson-
We unravel the critical role of vibrational mode softening in single-molecule electronic devices at high bias. Our theoretical analysis is carried out with a minimal model for molecular junctions, with mode softening arising due to quadratic electron
We study the electronic contribution to the main thermoelectric properties of a molecular junction consisting of a single quantum dot coupled to graphene external leads. The system electrical conductivity (G), Seebeck coefficient ($S$), and the therm