The DOI matches its Crossref record; 18 of the 18 references it cites were found in a registry or an index.
Density-Functional Theory with Screened van der Waals Interactions for the Modeling of Hybrid Inorganic-Organic Systems
Open accessAbstract
The electronic properties and the function of hybrid inorganic-organic systems (HIOS) are intimately linked to their interface geometry. Here we show that the inclusion of the many-body collective response of the substrate electrons inside the inorganic bulk enables us to reliably predict the HIOS geometries and energies. This is achieved by the combination of dispersion-corrected density-functional theory (the DFT+ van der Waals approach) [Phys. Rev. Lett. 102, 073005 (2009)], with the Lifshitz-Zaremba-Kohn theory for the nonlocal Coulomb screening within the bulk. Our method yields geometries in remarkable agreement (≈0.1 Å) with normal incidence x-ray standing wave measurements for the 3, 4, 9, 10-perylene-tetracarboxylic acid dianhydride (C(24)O(6)H(8), PTCDA) molecule on Cu(111), Ag(111), and Au(111) surfaces. Similarly accurate results are obtained for xenon and benzene adsorbed on metal surfaces.
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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
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
Grimme, S. (2006) · Journal of Computational Chemistry · doi:10.1002/jcc.20495 · Cited by 31,038
Bonded-atom fragments for describing molecular charge densities
Hirshfeld, F. L. (1977) · Theoretica Chimica Acta · doi:10.1007/bf00549096 · Cited by 6,978
Tkatchenko, A., & Scheffler, M. (2009) · Physical Review Letters · doi:10.1103/physrevlett.102.073005 · Cited by 6,286
Self-citationVan 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
A post-Hartree–Fock model of intermolecular interactions
Johnson, E. R., & Becke, A. D. (2005) · The Journal of Chemical Physics · doi:10.1063/1.1949201 · Cited by 1,004
Furry, W. H., Hamermesh, M., Brown, W. F., & Beyer, R. T. (1960) · Physics Today · doi:10.1063/1.3056990 · Cited by 737
Optical Constants and Inelastic Electron-Scattering Data for 17 Elemental Metals
Werner, W. S. M., Glantschnig, K., & Ambrosch-Draxl, C. (2009) · Journal of Physical and Chemical Reference Data · doi:10.1063/1.3243762 · Cited by 713
Van der Waals interaction between an atom and a solid surface
Zaremba, E., & Kohn, W. (1976) · Physical Review B · doi:10.1103/physrevb.13.2270 · Cited by 672
Potentials of physical adsorption
Vidali, G., Ihm, G., Kim, H.-Y., & Cole, M. W. (1991) · Surface Science Reports · doi:10.1016/0167-5729(91)90012-m · Cited by 628
Cited by
van der Waals forces in density functional theory: a review of the vdW-DF method
Berland, K., Cooper, V. R., Lee, K., Schröder, E., Thonhauser, T., Hyldgaard, P., & Lundqvist, B. I. (2015) · Reports on Progress in Physics · doi:10.1088/0034-4885/78/6/066501 · Cited by 847
Hermann, J., DiStasio, R. A., & Tkatchenko, A. (2017) · Chemical Reviews · doi:10.1021/acs.chemrev.6b00446 · Cited by 657
Self-citationSeparation of enantiomers by their enantiospecific interaction with achiral magnetic substrates
Banerjee-Ghosh, K., Ben Dor, O., Tassinari, F., Capua, E., Yochelis, S., Capua, A., Yang, S.-H., Parkin, S. S. P., Sarkar, S., Kronik, L., et al. (2018) · Science · doi:10.1126/science.aar4265 · Cited by 460
Bučko, T., Lebègue, S., Hafner, J., & Ángyán, J. G. (2013) · Physical Review B · doi:10.1103/physrevb.87.064110 · Cited by 388
Direct Methane to Methanol: The Selectivity–Conversion Limit and Design Strategies
Latimer, A. A., Kakekhani, A., Kulkarni, A. R., & Nørskov, J. K. (2018) · ACS Catalysis · doi:10.1021/acscatal.8b00220 · Cited by 326
Metadata
- Authors
- Ruiz, V. G., Liu, W., Zojer, E., Scheffler, M., & Tkatchenko, A.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2012-04-06
- Volume
- 108
- Issue
- 14
- Pages
- 146103-146103
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2051700545
- Cited by
- 558
- References
- 18
- FWCI
- 30.91
- Type
- journal article
- Language
- en
- Open access
- hybrid
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- Ruiz, V. G., Liu, W., Zojer, E., Scheffler, M., & Tkatchenko, A. (2012). Density-Functional Theory with Screened van der Waals Interactions for the Modeling of Hybrid Inorganic-Organic Systems. Physical Review Letters. https://doi.org/10.1103/physrevlett.108.146103
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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