دورية أكاديمية
The effect of shape and size in the stability of triangular Janus MoSSe quantum dots
| العنوان: | The effect of shape and size in the stability of triangular Janus MoSSe quantum dots |
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| المؤلفون: | J. I. Paez-Ornelas, R. Ponce-Pérez, H. N. Fernández-Escamilla, D. M. Hoat, E. A. Murillo-Bracamontes, María G. Moreno-Armenta, Donald H. Galván, J. Guerrero-Sánchez |
| المصدر: | Scientific Reports, Vol 11, Iss 1, Pp 1-11 (2021) |
| بيانات النشر: | Nature Portfolio, 2021. |
| سنة النشر: | 2021 |
| المجموعة: | LCC:Medicine LCC:Science |
| مصطلحات موضوعية: | Medicine, Science |
| الوصف: | Abstract Asymmetric Janus transition metal dichalcogenide MoSSe is a promising catalytic material due to the intrinsic in-plane dipole of its opposite faces. The atomic description of the structures observed by experimental techniques is relevant to tuning and optimizing its surface reaction processes. Furthermore, the experimentally observed triangular morphologies in MoSSe suggest that an analysis of the chemical environment of its edges is vital to understand its reactivity. Here we analyze the size-shape stability among different triangular structures-quantum- dots proposed from the ideal S(-1010) and Mo(10-10) terminations. Our stability analysis evidenced that the S–Se termination is more stable than Mo; moreover, as the size of the quantum dot increases, its stability increases as well. Besides, a trend is observed, with the appearance of elongated Mo-S/Se bonds at symmetric positions of the edges. Tersoff–Hamann scanning tunneling microscopy images for both faces of the stablest models are presented. Electrostatic potential isosurfaces denote that the basal plane on the S face of both configurations remains the region with more electron density concentration. These results point toward the differentiated activity over both faces. Finally, our study denotes the exact atomic arrangement on the edges of MoSSe quantum dots corresponding with the formation of S/Se dimers who decorates the edges and their role along with the faces as catalytic sites. |
| نوع الوثيقة: | article |
| وصف الملف: | electronic resource |
| اللغة: | English |
| تدمد: | 2045-2322 |
| Relation: | https://doaj.org/toc/2045-2322 |
| DOI: | 10.1038/s41598-021-00287-6 |
| URL الوصول: | https://doaj.org/article/86a79f79106b446ba157e26b06e5a2b5 |
| رقم الأكسشن: | edsdoj.86a79f79106b446ba157e26b06e5a2b5 |
| قاعدة البيانات: | Directory of Open Access Journals |
Find this article in full text from Springer Verlag. 
Full Text Finder | تدمد: | 20452322 |
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| DOI: | 10.1038/s41598-021-00287-6 |