Optimizing thermal transport in graphene nanoribbon based on phonon resonance hybridization

نویسندگان

چکیده

As a critical way to modulate thermal transport in nanostructures, phonon resonance hybridization has become an issue of great concern the field engineering. In this work, we optimized across graphene nanoribbon and obtained minimized conductance by means designing nanopillared nanostructures based on hybridization. Specifically, optimization was performed combination atomic Green's function Bayesian optimization. Interestingly, it is found that decreases non-monotonically with increase number for structure, which severed as resonator blocks transport. Further mode-analysis calculations revealed anomalous tendency originates from decreased transmission wide frequency range. Additionally, nonequilibrium molecular dynamics simulations are verify results consideration high-order scattering. This finding provides novel insights into control nanostructures. • The impact arrangement nanopillars GNR studied. Thermal increasing nanopillars. Both NEMD analyze underlying physical mechanism.

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ژورنال

عنوان ژورنال: Materials Today Physics

سال: 2021

ISSN: ['2542-5293']

DOI: https://doi.org/10.1016/j.mtphys.2021.100445