Electron transport through molecular wires based on a face-shared bioctahedral motif
Density functional theory in conjunction with non-equilibrium Green's functions is used to explore the electron transport properties of a series of molecules based on the face-shared bioctahedral (M 2Cl 9) motif. The metal-metal bond orders in the chosen molecules, [Rh 2Cl 9] 3-, [Ru 2Cl 9] 3-...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2012
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