Wrinkle development in graphene sheets with patterned nano-protrusions: A molecular dynamics study

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F21%3A00535018" target="_blank" >RIV/61388955:_____/21:00535018 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61388998:_____/21:00535018

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S000862232031071X?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S000862232031071X?via%3Dihub</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.carbon.2020.11.003" target="_blank" >10.1016/j.carbon.2020.11.003</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Wrinkle development in graphene sheets with patterned nano-protrusions: A molecular dynamics study

Popis výsledku v původním jazyce

We perform large-scale molecular dynamics simulations to investigate wrinkling phenomena in uncompressed and pre-compressed graphene sheets with protrusions introduced by a hexagonal array ofnnanoparticles with varying spacing. The analysis includes the additional role of the nanoparticle size in conjunction with the cohesive energy between graphene and the particles in the formation of prominent adhesive profiles, or protrusions, in the sheets. The results throw new light on the underlying nucleation and propagation mechanisms of graphene wrinkles that emanate from equidistant, patterned protrusions. We find in the simulations that wrinkle morphology and the onset of wrinkling patterning are governed by a limited number of predominant factors that also determine the prominence of the protrusion profiles. The discussion provides a rationale to the development of wrinkle patterns with predictable geometry. We ascertain that the wrinkle topographies detected in our sheets are in good agreement with self-supported graphene experiments. The observed wrinkling mechanisms and the resulting patterning in our graphene simulations can pave the way to designing new tailor-made metamaterials based on suspended 2D materials.

Název v anglickém jazyce

Wrinkle development in graphene sheets with patterned nano-protrusions: A molecular dynamics study

Popis výsledku anglicky

We perform large-scale molecular dynamics simulations to investigate wrinkling phenomena in uncompressed and pre-compressed graphene sheets with protrusions introduced by a hexagonal array ofnnanoparticles with varying spacing. The analysis includes the additional role of the nanoparticle size in conjunction with the cohesive energy between graphene and the particles in the formation of prominent adhesive profiles, or protrusions, in the sheets. The results throw new light on the underlying nucleation and propagation mechanisms of graphene wrinkles that emanate from equidistant, patterned protrusions. We find in the simulations that wrinkle morphology and the onset of wrinkling patterning are governed by a limited number of predominant factors that also determine the prominence of the protrusion profiles. The discussion provides a rationale to the development of wrinkle patterns with predictable geometry. We ascertain that the wrinkle topographies detected in our sheets are in good agreement with self-supported graphene experiments. The observed wrinkling mechanisms and the resulting patterning in our graphene simulations can pave the way to designing new tailor-made metamaterials based on suspended 2D materials.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10405 - Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2021

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Carbon

ISSN

0008-6223

e-ISSN

1873-3891

Svazek periodika

173

Číslo periodika v rámci svazku

March

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

301-310

Kód UT WoS článku

000613137600003

EID výsledku v databázi Scopus

2-s2.0-85095975419