Molecular adsorption on metal surfaces with van der Waals density functionals
Published 2012 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Molecular adsorption on metal surfaces with van der Waals density functionals
Authors
Keywords
-
Journal
PHYSICAL REVIEW B
Volume 85, Issue 12, Pages -
Publisher
American Physical Society (APS)
Online
2012-03-21
DOI
10.1103/physrevb.85.121409
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Environmental Control of Single-Molecule Junction Transport
- (2011) V. Fatemi et al. NANO LETTERS
- Self-assembly of molecular wires on H-terminated Si(100) surfaces driven by London dispersion forces
- (2011) Guo Li et al. PHYSICAL REVIEW B
- Self-consistent GW calculations of electronic transport in thiol- and amine-linked molecular junctions
- (2011) M. Strange et al. PHYSICAL REVIEW B
- Adsorption ofC60on Au(111) revisited: A van der Waals density functional study
- (2011) Ikutaro Hamada et al. PHYSICAL REVIEW B
- Graphene on Ni(111): Strong interaction and weak adsorption
- (2011) F. Mittendorfer et al. PHYSICAL REVIEW B
- Van der Waals density functionals applied to solids
- (2011) Jiří Klimeš et al. PHYSICAL REVIEW B
- Why Sliding Friction of Ne and Kr Monolayers Is So Different on the Pb(111) Surface
- (2011) Y. N. Zhang et al. PHYSICAL REVIEW LETTERS
- To Wet or Not to Wet? Dispersion Forces Tip the Balance for Water Ice on Metals
- (2011) Javier Carrasco et al. PHYSICAL REVIEW LETTERS
- Density functional theoretical study of pentacene/noble metal interfaces with van der Waals corrections: Vacuum level shifts and electronic structures
- (2010) Kenji Toyoda et al. JOURNAL OF CHEMICAL PHYSICS
- Effect of Anchoring Group Position on Formation and Conductance of a Single Disubstituted Benzene Molecule Bridging Au Electrodes: Change of Conductive Molecular Orbital and Electron Pathway
- (2010) Manabu Kiguchi et al. Journal of Physical Chemistry C
- Relating Energy Level Alignment and Amine-Linked Single Molecule Junction Conductance
- (2010) M. Dell’Angela et al. NANO LETTERS
- Tailoring molecular layers at metal surfaces
- (2010) Ludwig Bartels Nature Chemistry
- Accurate surface and adsorption energies from many-body perturbation theory
- (2010) L. Schimka et al. NATURE MATERIALS
- Role of van der Waals interaction in forming molecule-metal junctions: flat organic molecules on the Au(111) surface
- (2010) M. Mura et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Van der Waals density functional: An appropriate exchange functional
- (2010) Valentino R. Cooper PHYSICAL REVIEW B
- Higher-accuracy van der Waals density functional
- (2010) Kyuho Lee et al. PHYSICAL REVIEW B
- Structure and Energetics of Azobenzene on Ag(111): Benchmarking Semiempirical Dispersion Correction Approaches
- (2010) G. Mercurio et al. PHYSICAL REVIEW LETTERS
- Dispersion interactions in density-functional theory
- (2009) Erin R. Johnson et al. JOURNAL OF PHYSICAL ORGANIC CHEMISTRY
- A density functional for sparse matter
- (2009) D C Langreth et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
- (2009) Paolo Giannozzi et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Chemical accuracy for the van der Waals density functional
- (2009) Jiří Klimeš et al. JOURNAL OF PHYSICS-CONDENSED MATTER
- Quantitative Evaluation of Metal−Molecule Contact Stability at the Single-Molecule Level
- (2009) Makusu Tsutsui et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Theoretical study of PTCDA adsorbed on the coinage metal surfaces, Ag(111), Au(111) and Cu(111)
- (2009) L Romaner et al. NEW JOURNAL OF PHYSICS
- Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes
- (2009) Guillermo Román-Pérez et al. PHYSICAL REVIEW LETTERS
- Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
- (2009) Alexandre Tkatchenko et al. PHYSICAL REVIEW LETTERS
- Self-consistent implementation of a nonlocal van der Waals density functional with a Gaussian basis set
- (2008) Oleg A. Vydrov et al. JOURNAL OF CHEMICAL PHYSICS
- Influence of functional groups on charge transport in molecular junctions
- (2008) D. J. Mowbray et al. JOURNAL OF CHEMICAL PHYSICS
- Conductance of Single 1,4-Benzenediamine Molecule Bridging between Au and Pt Electrodes
- (2008) Manabu Kiguchi et al. Journal of Physical Chemistry C
- Stochastic Modulation in Molecular Electronic Transport Junctions: Molecular Dynamics Coupled with Charge Transport Calculations
- (2008) David Q. Andrews et al. NANO LETTERS
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now