The DOI matches its Crossref record; 9 of the 9 references it cites were found in a registry or an index.
Mechanical and Electronic Properties of MoS2 Nanoribbons and Their Defects
Open accessAbstract
We present our study on atomic, electronic, magnetic, and phonon properties of the one-dimensional honeycomb structure of molybdenum disulfide (MoS 2 ) using the first-principles plane wave method. Calculated phonon frequencies of bare armchair nanoribbon reveal the fourth acoustic branch and indicate the stability. Force constant and in-plane stiffness calculated in the harmonic elastic deformation range signify that the MoS 2 nanoribbons are stiff quasi one-dimensional structures, but not as strong as graphene and BN nanoribbons. Bare MoS 2 armchair nanoribbons are nonmagnetic, direct band gap semiconductors. Bare zigzag MoS 2 nanoribbons become half-metallic as a result of the (2 × 1) reconstruction of edge atoms and are semiconductor for minority spins, but metallic for the majority spins. Their magnetic moments and spin-polarizations at the Fermi level are reduced as a result of the passivation of edge atoms by hydrogen. The functionalization of MoS 2 nanoribbons by adatom adsorption and vacancy defect creation are also studied. The nonmagnetic armchair nanoribbons attain net magnetic moment depending on where the foreign atoms are adsorbed and what kind of vacancy defect is created. The magnetization of zigzag nanoribbons due to the edge states is suppressed in the presence of vacancy defects.
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Identification of Active Edge Sites for Electrochemical H 2 Evolution from MoS 2 Nanocatalysts
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Cited by
Li, H., Yin, Z., He, Q., Li, H., Huang, X., Lu, G., Fam, D. W. H., Tok, A. I. Y., Zhang, Q., & Zhang, H. (2012) · Small · doi:10.1002/smll.201101016 · Cited by 1,536
Liu, G.-B., Xiao, D., Yao, Y., Xu, X., & Yao, W. (2015) · Chemical Society Reviews · doi:10.1039/c4cs00301b · Cited by 698
A Comparative Study of Lattice Dynamics of Three- and Two-Dimensional MoS2
Ataca, C., Topsakal, M., Aktürk, E., & Ciraci, S. (2011) · The Journal of Physical Chemistry C · doi:10.1021/jp205116x · Cited by 353
Self-citationGraphene and MoS2 interacting with water: A comparison by ab initio calculations
Levita, G., Restuccia, P., & Righi, M. C. (2016) · Carbon · doi:10.1016/j.carbon.2016.06.072 · Cited by 147
Metadata
- Authors
- Ataca, C., Şahin, H., Aktürk, E., & Ciraci, S.
- Venue
- The Journal of Physical Chemistry C
- Publisher
- American Chemical Society (ACS)
- Published
- 2011-02-20
- Volume
- 115
- Issue
- 10
- Pages
- 3934-3941
- ISSN
- 1932-7447 (ISSN-L)
- 1932-7455
- OpenAlex
- W2025183960
- Cited by
- 464
- References
- 9
- FWCI
- 15.18
- Type
- journal article
- Language
- en
- Open access
- green
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