most citedBand Alignment in Molecular Devices: Influence of Anchoring Group and Metal Work Function

39 citations · 39 across the 1 of their papers we have counts for

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cond-mat.mes-hall2008★ 39 cited

Band Alignment in Molecular Devices: Influence of Anchoring Group and Metal Work Function

Jian-guo Wang, Emil Prodan, Roberto Car +1

We present periodic Density Functional Theory calculations of the electronic properties of molecular junctions formed by amine-, and thiol-terminated alkane chains attached to two…