The DOI matches its Crossref record; 27 of the 27 references it cites were found in a registry or an index.
Graphene on Ni(111): Strong interaction and weak adsorption
Abstract
The adsorption of graphene on Ni(111) has been investigated on the basis of the adiabatic-connection fluctuation-dissipation theorem in the random phase approximation (RPA). Although we find a significant hybridization between the graphene $\ensuremath{\pi}$ orbitals and Ni ${d}_{{z}^{2}}$ states at a binding distance of 2.17 \AA{}, the adsorption energy is still in the range of a typical physisorption (67 meV per carbon). An important contribution to the energy is related to a decrease in the exchange energy resulting from the adsorption-induced lower symmetry in the graphene layer. The energetics can be well reproduced using the computationally significantly cheaper van der Waals density functional theory with an appropriately chosen exchange-correlation functional.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., & Joubert, D. (1999) · Physical Review B · doi:10.1103/physrevb.59.1758 · Cited by 85,307
Self-citationKresse, G., & Furthmüller, J. (1996) · Computational Materials Science · doi:10.1016/0927-0256(96)00008-0 · Cited by 75,638
Self-citationAb initio molecular dynamics for liquid metals
Kresse, G., & Hafner, J. (1993) · Physical Review B · doi:10.1103/physrevb.47.558 · Cited by 45,727
Self-citationGeim, A. K., & Novoselov, K. S. (2007) · Nature Materials · doi:10.1038/nmat1849 · Cited by 39,979
Graphene: Status and Prospects
Geim, A. K. (2009) · Science · doi:10.1126/science.1158877 · Cited by 13,942
Van der Waals Density Functional for General Geometries
Dion, M., Rydberg, H., Schröder, E., Langreth, D. C., & Lundqvist, B. I. (2004) · Physical Review Letters · doi:10.1103/physrevlett.92.246401 · Cited by 5,622
Schwierz, F. (2010) · Nature Nanotechnology · doi:10.1038/nnano.2010.89 · Cited by 5,267
Van der Waals density functionals applied to solids
Klimeš, J., Bowler, D. R., & Michaelides, A. (2011) · Physical Review B · doi:10.1103/physrevb.83.195131 · Cited by 4,624
Self-citationChemical accuracy for the van der Waals density functional
Klimeš, J., Bowler, D. R., & Michaelides, A. (2010) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/22/2/022201 · Cited by 3,587
Self-citationDoping Graphene with Metal Contacts
Giovannetti, G., Khomyakov, P. A., Brocks, G., Karpan, V. M., van den Brink, J., & Kelly, P. J. (2008) · Physical Review Letters · doi:10.1103/physrevlett.101.026803 · Cited by 2,605
Wintterlin, J., & Bocquet, M.-L. (2009) · Surface Science · doi:10.1016/j.susc.2008.08.037 · Cited by 994
Scanning tunneling microscopy of graphene on Ru(0001)
Marchini, S., Günther, S., & Wintterlin, J. (2007) · Physical Review B · doi:10.1103/physrevb.76.075429 · Cited by 679
Graphene on Pt(111): Growth and substrate interaction
Sutter, P., Sadowski, J. T., & Sutter, E. (2009) · Physical Review B · doi:10.1103/physrevb.80.245411 · Cited by 636
Accurate surface and adsorption energies from many-body perturbation theory
Schimka, L., Harl, J., Stroppa, A., Grüneis, A., Marsman, M., Mittendorfer, F., & Kresse, G. (2010) · Nature Materials · doi:10.1038/nmat2806 · Cited by 612
Self-citationHarl, J., Schimka, L., & Kresse, G. (2010) · Physical Review B · doi:10.1103/physrevb.81.115126 · Cited by 470
Self-citationAccurate Bulk Properties from Approximate Many-Body Techniques
Harl, J., & Kresse, G. (2009) · Physical Review Letters · doi:10.1103/physrevlett.103.056401 · Cited by 414
Self-citationLebègue, S., Harl, J., Gould, T., Ángyán, J. G., Kresse, G., & Dobson, J. F. (2010) · Physical Review Letters · doi:10.1103/physrevlett.105.196401 · Cited by 380
Self-citationAsymptotics of the Dispersion Interaction: Analytic Benchmarks for van der Waals Energy Functionals
Dobson, J. F., White, A., & Rubio, A. (2006) · Physical Review Letters · doi:10.1103/physrevlett.96.073201 · Cited by 359
Comparative van der Waals density-functional study of graphene on metal surfaces
Hamada, I., & Otani, M. (2010) · Physical Review B · doi:10.1103/physrevb.82.153412 · Cited by 317
Karpan, V. M., Khomyakov, P. A., Starikov, A. A., Giovannetti, G., Zwierzycki, M., Talanana, M., Brocks, G., van den Brink, J., & Kelly, P. J. (2008) · Physical Review B · doi:10.1103/physrevb.78.195419 · Cited by 224
Tunable hybridization between electronic states of graphene and a metal surface
Grüneis, A., & Vyalikh, D. V. (2008) · Physical Review B · doi:10.1103/physrevb.77.193401 · Cited by 209
Electronic and magnetic properties of the graphene–ferromagnet interface
Dedkov, Y. S., & Fonin, M. (2010) · New Journal of Physics · doi:10.1088/1367-2630/12/12/125004 · Cited by 206
Bridge structure for the graphene/Ni(111) system: A first principles study
Fuentes-Cabrera, M., Baskes, M. I., Melechko, A. V., & Simpson, M. L. (2008) · Physical Review B · doi:10.1103/physrevb.77.035405 · Cited by 175
A Parameter-Free Density Functional That Works for Noncovalent Interactions
Eshuis, H., & Furche, F. (2011) · The Journal of Physical Chemistry Letters · doi:10.1021/jz200238f · Cited by 150
Kalibaeva, G., Vuilleumier, R., Meloni, S., et al. (2006) · The Journal of Physical Chemistry B · doi:10.1021/jp055397d · Cited by 50
Graphene on Ru(0001): Contact Formation and Chemical Reactivity on the Atomic Scale
Altenburg, S. J., Kröger, J., Wang, B., et al. (2010) · Physical Review Letters · doi:10.1103/physrevlett.105.236101 · Cited by 49
Cited by
Kühne, T. D., Iannuzzi, M., Del Ben, M., Rybkin, V. V., Seewald, P., Stein, F., Laino, T., Khaliullin, R. Z., Schütt, O., Schiffmann, F., et al. (2020) · The Journal of Chemical Physics · doi:10.1063/5.0007045 · Cited by 4,468
Random-phase approximation and its applications in computational chemistry and materials science
Ren, X., Rinke, P., Joas, C., & Scheffler, M. (2012) · Journal of Materials Science · doi:10.1007/s10853-012-6570-4 · Cited by 610
Metadata
- Authors
- Mittendorfer, F., Garhofer, A., Redinger, J., Klimeš, J., Harl, J., & Kresse, G.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2011-11-21
- Volume
- 84
- Issue
- 20
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W2320287746
- Cited by
- 266
- References
- 27
- FWCI
- 14.10
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
