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Quantum bath augmented stochastic nonequilibrium atomistic simulations for molecular heat conduction
Renai Chen, Mohammadhasan Dinpajooh, Abraham Nitzan
Classical molecular dynamics (MD) has been shown to be effective in simulating heat conduction in certain molecular junctions since it inherently takes into account some essential…
Stochastic Simulation of Nonequilibrium Heat Conduction in Extended Molecule Junctions
Inon Sharony, Renai Chen, Abraham Nitzan
Understanding phononic heat transport processes in molecular junctions is a central issue in the developing field of nanoscale heat conduction and manipulation. Here we present a S…
Network analysis of the performance of organic photovoltaic cells: The open circuit voltage and the zero current efficiency
Mario Einax, Abraham Nitzan
Photovoltaic energy conversion in photovoltaic cells has been analyzed by the detailed balance approach or by thermodynamic arguments. Here we introduce a network representation to…
Multiple State Representation Scheme for Organic Bulk Heterojunction Solar Cells: A Novel Analysis Perspective
Mario Einax, Marcel Dierl, Philip R. Schiff +1
The physics of organic bulk heterojunction solar cells is studied within a six state model, which is used to analyze the factors that affect current-voltage characteristics, power-…
Heterojunction organic photovoltaic cells as molecular heat engines: A simple model for the performance analysis
Mario Einax, Marcel Dierl, Abraham Nitzan
Organic heterojunction solar cells are analyzed within a minimal model that includes the essential physical features of such systems. The dynamical properties of this model, calcul…
Reply to Comment by Alexandrov and Bratkovsky [cond-mat/0603467, cond-mat/0606366]
Michael Galperin, Abraham Nitzan, Mark A. Ratner
The submitted Comment is based on using an isolated quantum dot approach to discuss the situation where the coupling to the leads is considerable (not negligible). This finite lead…