Charge transfer and “band lineup” in molecular electronic devices: A chemical and numerical interpretation
- 1 September 2001
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 115 (9), 4292-4299
- https://doi.org/10.1063/1.1391253
Abstract
No abstract availableKeywords
This publication has 42 references indexed in Scilit:
- Electrical conductance of parallel atomic wiresPhysical Review B, 2000
- The injecting energy at molecule/metal interfaces: Implications for conductance of molecular junctions from an ab initio molecular descriptionThe Journal of Chemical Physics, 1999
- What Do the Kohn−Sham Orbitals and Eigenvalues Mean?Journal of the American Chemical Society, 1999
- Nanoscale Science of Single Molecules Using Local ProbesScience, 1999
- Conductance of a Molecular JunctionScience, 1997
- Chemical trends and bonding mechanisms for isloated adsorbates on Al(111)Physical Review B, 1994
- A new mixing of Hartree–Fock and local density-functional theoriesThe Journal of Chemical Physics, 1993
- Jellium work function for all electron densitiesPhysical Review B, 1988
- A chemical and theoretical way to look at bonding on surfacesReviews of Modern Physics, 1988
- Theory of Metal Surfaces: Work FunctionPhysical Review B, 1971