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- W3136261593 abstract "The purpose of this review is to describe the important effects of the interfaces on electron transport in nanostructured materials and to provide a brief overview of computational research that uses nonequilibrium Green’s function (NEGF) formalism for calculating electron transport across the interfaces in nanocomposites. This review does not intend to provide every detail regarding the theory that supports the method, as the extensive literature on this subject already exists. The complexity of the method should not discourage researchers from using it in practical applications, since several reliable computational tools have been created that employ NEGF formalism and provide an easy access to simulation setup and results analysis. The limitations and requirements that exist for the method are briefly discussed. Most of the researches that use NEGF calculations nowadays are dealing with nanometer-size devices such as individual molecular wires, nanoscale transistors, quantum dots, and similar structures. Special emphasis in this review is made on to make possible connection between molecular-level calculations and macroscopic material properties, which can be used for property prediction, comparison with the experiments, and even can be useful for the validation of computational techniques." @default.
- W3136261593 created "2021-03-29" @default.
- W3136261593 creator A5003369394 @default.
- W3136261593 date "2021-01-01" @default.
- W3136261593 modified "2023-09-27" @default.
- W3136261593 title "Electron transport through nanomaterial interfaces" @default.
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- W3136261593 doi "https://doi.org/10.1016/b978-0-12-819117-0.00004-8" @default.
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