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- W2754065921 abstract "Understanding the interaction between water and molybdenum disulfide (MoS2) is of crucial importance to investigate the physics of various applications involving MoS2 and water interfaces. An accurate force field is required to describe water and MoS2 interactions. In this work, water–MoS2 force field parameters are derived using the high-accuracy random phase approximation (RPA) method and validated by comparing to experiments. The parameters obtained from the RPA method result in water–MoS2 interface properties (solid-liquid work of adhesion) in good comparison to the experimental measurements. An accurate description of MoS2-water interaction will facilitate the study of MoS2 in applications such as DNA sequencing, sea water desalination, and power generation." @default.
- W2754065921 created "2017-09-25" @default.
- W2754065921 creator A5029407365 @default.
- W2754065921 creator A5068796152 @default.
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- W2754065921 date "2017-09-14" @default.
- W2754065921 modified "2023-10-17" @default.
- W2754065921 title "Molybdenum disulfide and water interaction parameters" @default.
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- W2754065921 doi "https://doi.org/10.1063/1.5001264" @default.
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