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| Author | Sahin, H.; Torun, E.; Bacaksiz, C.; Horzum, S.; Kang, J.; Senger, R.T.; Peeters, F.M. | ||||
| Title | Computing optical properties of ultra-thin crystals | Type | A1 Journal article | ||
Year  |
2016 | Publication | Wiley Interdisciplinary Reviews: Computational Molecular Science | Abbreviated Journal | Wires Comput Mol Sci |
| Volume | 6 | Issue | 6 | Pages | 351-368 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | An overview is given of recent advances in experimental and theoretical understanding of optical properties of ultra-thin crystal structures (graphene, phosphorene, silicene, MoS2 , MoSe2, WS2, WSe2, h-AlN, h-BN, fluorographene, and graphane). Ultra-thin crystals are atomically thick-layered crystals that have unique properties which differ from their 3D counterpart. Because of the difficulties in the synthesis of few-atom-thick crystal structures, which are thought to be the main building blocks of future nanotechnology, reliable theoretical predictions of their electronic, vibrational, and optical properties are of great importance. Recent studies revealed the reliable predictive power of existing theoretical approaches based on density functional theory. (C) 2016 John Wiley & Sons, Ltd WIREs Comput Mol Sci 2016, 6:351-368. doi: 10.1002/wcms.1252 For further resources related to this article, please visit the . | ||||
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| Language | Wos | 000379267300002 | Publication Date | 2016-02-20 | |
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| ISSN | 1759-0876 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 14.016 | Times cited | 14 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWO Pegasus Long Marie Curie Fellowship. J.K. is supported by a FWO Pegasus short Marie Curie Fellowship. ; | Approved | Most recent IF: 14.016 | ||
| Call Number | UA @ lucian @ c:irua:134649 | Serial | 4155 | ||
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