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https://doi.org/10.1016/j.susc.2008.06.006
| Title: | Surface reconstruction of MoS2 to Mo2S3 | Authors: | Tiwari, R.K. Yang, J. Saeys, M. Joachim, C. |
Keywords: | Ab initio quantum chemical methods and calculations Density functional calculations Electron transport Phase transition Scanning tunneling microscopy Surface relaxation and reconstruction |
Issue Date: | 1-Aug-2008 | Citation: | Tiwari, R.K., Yang, J., Saeys, M., Joachim, C. (2008-08-01). Surface reconstruction of MoS2 to Mo2S3. Surface Science 602 (15) : 2628-2633. ScholarBank@NUS Repository. https://doi.org/10.1016/j.susc.2008.06.006 | Abstract: | The effect of thermal treatments up to 1300 K on the surface structure of MoS2 was studied using scanning tunneling microscopy. The surface of MoS2 remained atomically perfect up to 1200 K. Above 1300 K, a reconstruction of the top layers of MoS2 to Mo2S3 was observed, leading to one-dimensional atomic double rows on the reconstructed surface. First principles based thermodynamic calculations indicate that the thermodynamically preferred surface is the sulfur rich (0 0 1) termination. Low voltage STM simulations using the ESQC method show good agreement with experimental images. © 2008 Elsevier B.V. All rights reserved. | Source Title: | Surface Science | URI: | http://scholarbank.nus.edu.sg/handle/10635/90240 | ISSN: | 00396028 | DOI: | 10.1016/j.susc.2008.06.006 |
| Appears in Collections: | Staff Publications |
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