Edge-Driven Phase Transitions in 2D Ice
نویسندگان
چکیده
2D water, confined by atomically flat layered materials, may transit into various crystalline phases even at room temperature. However, to gain full control over the state, we should not only confine water in out of plane direction but also restrict its motion, forming clusters or ribbons. One way do this is using an electric field, particular intrinsic field adjacent polar material. We have found that placed between two hexagonal boron nitride hBN nanoribbons are crucially determined edges, resulting polarity nanoribbons, and their interlayer distance. make use density functional theory with further assistance molecular dynamics simulations establish comprehensive phase diagrams demonstrating transitions liquid solid states different orders. show orders maintained when flows channels under external pressure. Our results open a promising pathway towards structure flow microscopic materials.
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ژورنال
عنوان ژورنال: Journal of Physical Chemistry C
سال: 2022
ISSN: ['1932-7455', '1932-7447']
DOI: https://doi.org/10.1021/acs.jpcc.2c04492