The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Magnetic Properties of Single Transition-Metal Atom Absorbed Graphdiyne and Graphyne Sheet from DFT+U Calculations
Open accessAbstract
The electronic and magnetic properties of single 3d transition-metal (TM) atom (V, Cr, Mn, Fe, Co, and Ni) adsorbed graphdiyne (GDY) and graphyne (GY) are systematically studied using density functional theory (DFT). It is found that the electronic structures of TM-GDY/GY are sensitive to the value of the on-site Coulomb energy for the TM 3d orbital. It is crucial to use DFT+U method and accurately account for the electron correlation in the calculations. By using linear response method, we are able to determine the U eff value for all TM adatom. We find that the adsorption of TM atom not only efficiently modulates the electronic structures of GDY/GY system but also introduces excellent magnetic properties, such as spin-polarized half-semiconductor. Such modulation originates from the charge transfer between TM adatom and GDY/GY sheet as well as the electron redistribution of the TM intra-atomic s, p, and d orbitals. Our results indicate that the TM adsorbed GDY/GY are excellent candidates for spintronics.
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
Experimental observation of the quantum Hall effect and Berry's phase in graphene
Zhang, Y., Tan, Y.-W., Stormer, H. L., & Kim, P. (2005) · Nature · doi:10.1038/nature04235 · Cited by 13,435
Cited by
Graphdiyne and graphyne: from theoretical predictions to practical construction
Li, Y., Xu, L., Liu, H., & Li, Y. (2014) · Chemical Society Reviews · doi:10.1039/c3cs60388a · Cited by 1,162
Anchoring zero valence single atoms of nickel and iron on graphdiyne for hydrogen evolution
Xue, Y., Huang, B., Yi, Y., Guo, Y., Zuo, Z., Li, Y., Jia, Z., Liu, H., & Li, Y. (2018) · Nature Communications · doi:10.1038/s41467-018-03896-4 · Cited by 1,011
He, T., Matta, S. K., Will, G., & Du, A. (2019) · Small Methods · doi:10.1002/smtd.201800419 · Cited by 267
Metadata
- Authors
- He, J., Ma, S. Y., Zhou, P., Zhang, C. X., He, C., & Sun, L. Z.
- Venue
- The Journal of Physical Chemistry C
- Publisher
- American Chemical Society (ACS)
- Published
- 2012-12-11
- Volume
- 116
- Issue
- 50
- Pages
- 26313-26321
- ISSN
- 1932-7447 (ISSN-L)
- 1932-7455
- OpenAlex
- W1595200534
- Cited by
- 310
- References
- 1
- FWCI
- 4.34
- 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
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: Magnetic Properties of Single Transition-Metal Atom Absorbed Graphdiyne and Graphyne Sheet from DFT+U Calculations. https://app.cochat.ai/papers/10.1021/jp307408u
- The paper
- He, J., Ma, S. Y., Zhou, P., Zhang, C. X., He, C., & Sun, L. Z. (2012). Magnetic Properties of Single Transition-Metal Atom Absorbed Graphdiyne and Graphyne Sheet from DFT+U Calculations. The Journal of Physical Chemistry C. https://doi.org/10.1021/jp307408u
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.
