Thermodynamically driven tilt grain boundaries of monolayer crystals using catalytic liquid alloys
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arXiv
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| Auteurs principaux: | , , , , , , |
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| Format: | Preprint |
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2025
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| author | Choi, Min-Yeong Choi, Chang-Won Kim, Dong-Yeong Jo, Moon-Ho Kim, Yong-Sung Choi, Si-Young Kim, Cheol-Joo |
| author_facet | Choi, Min-Yeong Choi, Chang-Won Kim, Dong-Yeong Jo, Moon-Ho Kim, Yong-Sung Choi, Si-Young Kim, Cheol-Joo |
| contents | We report a method to precisely control the atomic defects at grain boundaries (GBs) of monolayer MoS2 by vapor-liquid-solid (VLS) growth using sodium molybdate liquid alloys, which serve as growth catalysts to guide the formations of the thermodynamically most stable GB structure. The Mo-rich chemical environment of the alloys results in Mo-polar 5|7 defects with a yield exceeding 95%. The photoluminescence (PL) intensity of VLS-grown polycrystalline MoS2 films markedly exceeds that of the films exhibiting abundant S 5|7 defects, which are kinetically driven by vapor-solid-solid growths. Density functional theory calculations indicate that the enhanced PL intensity is due to the suppression of non-radiative recombination of charged excitons with donor-type defects of adsorbed Na elements on S 5|7 defects. Catalytic liquid alloys can aid in determining a type of atomic defect even in various polycrystalline 2D films, which accordingly provides a technical clue to engineer their properties. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2507_22689 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Thermodynamically driven tilt grain boundaries of monolayer crystals using catalytic liquid alloys Choi, Min-Yeong Choi, Chang-Won Kim, Dong-Yeong Jo, Moon-Ho Kim, Yong-Sung Choi, Si-Young Kim, Cheol-Joo Materials Science We report a method to precisely control the atomic defects at grain boundaries (GBs) of monolayer MoS2 by vapor-liquid-solid (VLS) growth using sodium molybdate liquid alloys, which serve as growth catalysts to guide the formations of the thermodynamically most stable GB structure. The Mo-rich chemical environment of the alloys results in Mo-polar 5|7 defects with a yield exceeding 95%. The photoluminescence (PL) intensity of VLS-grown polycrystalline MoS2 films markedly exceeds that of the films exhibiting abundant S 5|7 defects, which are kinetically driven by vapor-solid-solid growths. Density functional theory calculations indicate that the enhanced PL intensity is due to the suppression of non-radiative recombination of charged excitons with donor-type defects of adsorbed Na elements on S 5|7 defects. Catalytic liquid alloys can aid in determining a type of atomic defect even in various polycrystalline 2D films, which accordingly provides a technical clue to engineer their properties. |
| title | Thermodynamically driven tilt grain boundaries of monolayer crystals using catalytic liquid alloys |
| topic | Materials Science |
| url | https://arxiv.org/abs/2507.22689 |