The DOI matches its Crossref record; 19 of the 19 references it cites were found in a registry or an index.
Physisorption of nucleobases on graphene: Density-functional calculations
Open accessAbstract
We report the results of our first-principles investigation on the interaction of the nucleobases adenine (A), cytosine (C), guanine (G), thymine (T), and uracil (U) with graphene, carried out within the density-functional theory framework, with additional calculations utilizing Hartree-Fock plus second-order M\o{}ller-Plesset perturbation theory. The calculated binding energy of the nucleobases shows the following hierarchy: $\mathrm{G}>\mathrm{A}\ensuremath{\approx}\mathrm{T}\ensuremath{\approx}\mathrm{C}>\mathrm{U}$, with the equilibrium configuration being rather similar for all five of them. Our results clearly demonstrate that the nucleobases exhibit significantly different interaction strengths when physisorbed on graphene. The stabilizing factor in the interaction between the base molecule and graphene sheet is dominated by the molecular polarizability that allows a weakly attractive dispersion force to be induced between them. The present study represents a significant step toward a first-principles understanding of how the base sequence of DNA can affect its interaction with carbon nanotubes, as observed experimentally.
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
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
Kresse, G., & Furthmüller, J. (1996) · Computational Materials Science · doi:10.1016/0927-0256(96)00008-0 · Cited by 75,638
Special points for Brillouin-zone integrations
Monkhorst, H. J., & Pack, J. D. (1976) · Physical Review B · doi:10.1103/physrevb.13.5188 · Cited by 71,721
Self-Consistent Equations Including Exchange and Correlation Effects
Kohn, W., & Sham, L. J. (1965) · Physical Review · doi:10.1103/physrev.140.a1133 · Cited by 64,135
Hohenberg, P., & Kohn, W. (1964) · Physical Review · doi:10.1103/physrev.136.b864 · Cited by 53,541
Perdew, J. P., Chevary, J. A., Vosko, S. H., Jackson, K. A., Pederson, M. R., Singh, D. J., & Fiolhais, C. (1992) · Physical Review B · doi:10.1103/physrevb.46.6671 · Cited by 22,269
Self-interaction correction to density-functional approximations for many-electron systems
Perdew, J. P., & Zunger, A. (1981) · Physical Review B · doi:10.1103/physrevb.23.5048 · Cited by 20,887
DNA-assisted dispersion and separation of carbon nanotubes
Zheng, M., Jagota, A., Semke, E. D., Diner, B. A., Mclean, R. S., Lustig, S. R., Richardson, R. E., & Tassi, N. G. (2003) · Nature Materials · doi:10.1038/nmat877 · Cited by 2,699
Watson, J. D. (1970) · Cold Spring Harbor Laboratory Institutional Repository (Cold Spring Harbor Laboratory) · Cited by 2,062
Structure-Based Carbon Nanotube Sorting by Sequence-Dependent DNA Assembly
Zheng, M., Jagota, A., Strano, M. S., Santos, A. P., Barone, P., Chou, S. G., Diner, B. A., Dresselhaus, M. S., Mclean, R. S., Onoa, G. B., et al. (2003) · Science · doi:10.1126/science.1091911 · Cited by 1,594
Cited by
Binding of DNA Nucleobases and Nucleosides with Graphene
Varghese, N., Mogera, U., Govindaraj, A., Das, A., Maiti, P. K., Sood, A. K., & Rao, C. N. R. (2009) · ChemPhysChem · doi:10.1002/cphc.200800459 · Cited by 531
Adsorption and Desorption of DNA on Graphene Oxide Studied by Fluorescently Labeled Oligonucleotides
Wu, M., Kempaiah, R., Huang, P.-J. J., Maheshwari, V., & Liu, J. (2011) · Langmuir · doi:10.1021/la1037926 · Cited by 527
Chemical functionalization of graphene
Boukhvalov, D. W., & Katsnelson, M. I. (2009) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/21/34/344205 · Cited by 454
First-principles study of metal–graphene interfaces
Gong, C., Lee, G., Shan, B., Vogel, E. M., Wallace, R. M., & Cho, K. (2010) · Journal of Applied Physics · doi:10.1063/1.3524232 · Cited by 427
Adsorption of DNA onto gold nanoparticles and graphene oxide: surface science and applications
Liu, J. (2012) · Physical Chemistry Chemical Physics · doi:10.1039/c2cp41186e · Cited by 408
The physics and chemistry of graphene-on-surfaces
Zhao, G., Li, X., Huang, M., Zhen, Z., Zhong, Y., Chen, Q., Zhao, X., He, Y., Hu, R., Yang, T., et al. (2017) · Chemical Society Reviews · doi:10.1039/c7cs00256d · Cited by 388
Rapid Sequencing of Individual DNA Molecules in Graphene Nanogaps
Postma, H. W. C. (2010) · Nano Letters · doi:10.1021/nl9029237 · Cited by 375
Rajesh, C., Majumder, C., Mizuseki, H., & Kawazoe, Y. (2009) · The Journal of Chemical Physics · doi:10.1063/1.3079096 · Cited by 291
Structures and interaction energies of stacked graphene–nucleobase complexes
Antony, J., & Grimme, S. (2008) · Physical Chemistry Chemical Physics · doi:10.1039/b718788b · Cited by 282
Metadata
- Authors
- Gowtham, S., Scheicher, R. H., Ahuja, R., Pandey, R., & Karna, S. P.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2007-07-02
- Volume
- 76
- Issue
- 3
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W88031792
- Cited by
- 330
- References
- 19
- FWCI
- 6.95
- Type
- journal article
- Language
- en
- Open access
- green
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.
