Temperature gradient-driven motion and assembly of two-dimensional (2D) materials on the liquid surface: a theoretical framework and molecular dynamics simulation

Literature Information

Publication Date 2020-09-30
DOI 10.1039/D0CP03834B
Impact Factor 3.676
Authors

Yongshuai Wen, Qingchang Liu, Yongshou Liu


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Abstract

The motion of two-dimensional (2D) materials on the liquid surface can be controlled by a pre-set temperature gradient. We propose a conceptual design of driving a graphene sheet on the water surface with a temperature gradient and demonstrate that both the velocity and orientation of the motion can be controlled by carefully assigning the magnitude and direction of the gradient of the liquid temperature. The driving force and friction force during the movement of the graphene sheet are derived theoretically by considering the temperature-dependent surface tension of water and the partial slip boundary condition between water and graphene. With this theoretical model, we predict the velocity and direction of the motion of graphene. Comprehensive molecular dynamics (MD) simulations are implemented to validate the theoretical predictions and the results agree well with the theoretical predictions. The motion and assembly of multiple graphene sheets are demonstrated to illustrate the potential application of the temperature gradient of the liquid surface in the manufacturing of low-dimensional materials into architected superstructures.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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