Title :

Atomistic insights into the nucleation and growth of hexagonal boron nitride and graphene heterostructures

Author(s) :

Achehboune, Mohamed [Auteur]
Université de Namur [Namur] [UNamur]
Zhour, Kazem [Auteur]
Westfälische Wilhelms-Universität Münster = University of Münster [WWU]
Dabrowski, Jaroslaw [Auteur]
IHP - Leibniz-Institut für innovative Mikroelektronik
Vignaud, Dominique [Auteur]
EPItaxie et PHYsique des hétérostructures - IEMN [EPIPHY - IEMN]
Institut d’Électronique, de Microélectronique et de Nanotechnologie - UMR 8520 [IEMN]
Franck, Max [Auteur]
IHP - Leibniz-Institut für innovative Mikroelektronik
Lukosius, Mindaugas [Auteur]
IHP - Leibniz-Institut für innovative Mikroelektronik
Colomer, Jean-François [Auteur]
Université de Namur [Namur] [UNamur]
Henrard, Luc [Auteur]
Université de Namur [Namur] [UNamur]

Journal title :

Physical Chemistry Chemical Physics

Pages :

28198-28207

Publisher :

Royal Society of Chemistry

Publication date :

2024

ISSN :

1463-9076

HAL domain(s) :

Physique [physics]
Sciences de l'ingénieur [physics]

English abstract : [en]

Graphene and hexagonal boron nitride (hBN) are two-dimensional (2D) materials with a similar atomic structure but drastically different although complementary electronic properties. The large-scale synthesis of h-BN/graphene ...
Show more >Graphene and hexagonal boron nitride (hBN) are two-dimensional (2D) materials with a similar atomic structure but drastically different although complementary electronic properties. The large-scale synthesis of h-BN/graphene heterostructures with high crystallographic quality is required to fully benefit of the graphene electronic properties. In this study, we examine numerically the interaction of graphene precursors on hBN and of hBN precursors on graphene to gain deep insight of the CVD and MBE growth mechanism of graphene/hBN heterostructures. Density functional theory (DFT) calculations reveal the adsorption and diffusion behaviors for B, N, and C atoms on these surfaces. In particular, the adsorption energy is found to be similar to the diffusion barriers, except for the nearly free diffusion of B atoms on both graphene and hBN. We have also investigated the transition from individual atoms to graphene or h-BN seeds by considering the stability of linear chains as well as branched and ring seeds. Furthermore, for larger clusters, the triangular h-BN domains are found to be equally thermodynamically stable on graphene regardless of their orientation. These findings provide preliminary hints for the ability of graphene to grow on hBN layers and hBN layer on graphene.Show less >

Language :

Anglais

Popular science :

Non

ANR Project :

hBN/Graphene 2D Heterostructures: from scalable growth to integration

Collections :

• Institut d'Électronique, de Microélectronique et de Nanotechnologie (IEMN) - UMR 8520

Source :

Harvested from HAL