C6H6/Au(111): Interface dipoles, band alignment, charging energy, and van der Waals interaction

Describing Both Dispersion Interactions and Electronic Structure Using Density Functional Theory: The Case of Metal−Phthalocyanine Dimers

(2009) Noa Marom et al.   Journal of Chemical Theory and Computation

Theoretical investigation of the electronic structure of the Alq3/Mg interface

(2009) Susumu Yanagisawa et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Charging energy, self-interaction correction and transport energy gap for a nanogap organic molecular junction

(2009) E. Abad et al.   ORGANIC ELECTRONICS

Modelling energy level alignment at organic interfaces and density functional theory

(2009) F. Flores et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Polarization-induced renormalization of molecular levels at metallic and semiconducting surfaces

(2009) J. M. Garcia-Lastra et al.   PHYSICAL REVIEW B

Intermolecular interaction in density functional theory: Application to carbon nanotubes and fullerenes

(2009) Y. J. Dappe et al.   PHYSICAL REVIEW B

Initial Stages of the Contact between a Metallic Tip and Carbon Nanotubes

(2009) C. González et al.   PHYSICAL REVIEW LETTERS

Dispersionless Density Functional Theory

(2009) Katarzyna Pernal et al.   PHYSICAL REVIEW LETTERS

First-principles study of benzene on noble metal surfaces: Adsorption states and vacuum level shifts

(2009) Kenji Toyoda et al.   SURFACE SCIENCE

Dipoles and band alignment for benzene/Au(111) and C60/Au(111) interfaces

(2008) E. Abad et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Electronic Energy Levels of Weakly Coupled Nanostructures:C60-Metal Interfaces

(2008) Jay D. Sau et al.   PHYSICAL REVIEW LETTERS

Barrier Formation at Organic Interfaces in a Cu(100)-benzenethiolate-pentacene Heterostructure

(2008) M. G. Betti et al.   PHYSICAL REVIEW LETTERS

Orbital-dependent density functionals: Theory and applications

(2008) Stephan Kümmel et al.   REVIEWS OF MODERN PHYSICS