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Modelling of surface energies of elemental crystals
Open accessAbstract
A simple formula without any free parameter is established to estimate surface energies of elemental metals of low-index surfaces, which is developed by modifying the classic broken-bond rule. The predicted results of the formula for 52 A1–A4 and sc elemental crystals are in agreement with experimental results and the first-principles calculations although deviations are present for several divalent sp metals.
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Cited by
Surface energies of elemental crystals
Tran, R., Xu, Z., Radhakrishnan, B., Winston, D., Sun, W., Persson, K. A., & Ong, S. P. (2016) · Scientific Data · doi:10.1038/sdata.2016.80 · Cited by 1,047
Size dependence of nanostructures: Impact of bond order deficiency
Sun, C. Q. (2007) · Progress in Solid State Chemistry · doi:10.1016/j.progsolidstchem.2006.03.001 · Cited by 873
Li, S., Zhou, Y., Kang, X., Liu, D., Gu, L., Zhang, Q., Yan, J., & Jiang, Q. (2019) · Advanced Materials · doi:10.1002/adma.201806781 · Cited by 165
Self-citationYao, R.-Q., Zhou, Y.-T., Shi, H., Zhang, Q.-H., Gu, L., Wen, Z., Lang, X.-Y., & Jiang, Q. (2019) · ACS Energy Letters · doi:10.1021/acsenergylett.9b00845 · Cited by 98
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Metadata
- Authors
- Jiang, Q., Lu, H. M., & Zhao, M.
- Venue
- Journal of Physics: Condensed Matter
- Publisher
- IOP Publishing
- Published
- 2004-01-16
- Volume
- 16
- Issue
- 4
- Pages
- 521-530
- ISSN
- 0953-8984 (ISSN-L)
- 1361-648X
- OpenAlex
- W2154379791
- Cited by
- 252
- References
- 0
- FWCI
- 42.78
- Type
- journal article
- Language
- en
- Open access
- bronze
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- Jiang, Q., Lu, H. M., & Zhao, M. (2004). Modelling of surface energies of elemental crystals. Journal of Physics: Condensed Matter. https://doi.org/10.1088/0953-8984/16/4/001
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