Effect of grain boundaries on thermal transport in bi-layer graphene Nano-Ribbons

Presenter's Name(s)

Temitope Boriwaye

Abstract

Defects and grain boundaries (GBs) in graphene arise frequently during growth, with distinct defect profiles emerging across layers in bilayer graphene. While these GBs are known to reduce thermal transport in monolayers, their influence in multilayer graphene, especially with unique interlayer defect profiles, remains less understood. We employ molecular dynamics simulations to study GBs in a bilayer graphene nanoribbon, revealing a moiré‐like pattern in one layer. Despite a decline in overall in‐plane thermal conductivity, the pristine layer partially compensates for this reduction via van der Waals interactions. Phonon mode analysis clarifies these attenuation mechanisms, informing thermal engineering in graphene heterostructures.

Primary Faculty Mentor Name

Jihong Ma

Status

Graduate

Student College

College of Engineering and Mathematical Sciences

Program/Major

Materials Science

Primary Research Category

Physical Science

Abstract only.

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Effect of grain boundaries on thermal transport in bi-layer graphene Nano-Ribbons

Defects and grain boundaries (GBs) in graphene arise frequently during growth, with distinct defect profiles emerging across layers in bilayer graphene. While these GBs are known to reduce thermal transport in monolayers, their influence in multilayer graphene, especially with unique interlayer defect profiles, remains less understood. We employ molecular dynamics simulations to study GBs in a bilayer graphene nanoribbon, revealing a moiré‐like pattern in one layer. Despite a decline in overall in‐plane thermal conductivity, the pristine layer partially compensates for this reduction via van der Waals interactions. Phonon mode analysis clarifies these attenuation mechanisms, informing thermal engineering in graphene heterostructures.