Titre :

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

Auteur(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]

Titre de la revue :

Physical Chemistry Chemical Physics

Pagination :

28198-28207

Éditeur :

Royal Society of Chemistry

Date de publication :

2024

ISSN :

1463-9076

Discipline(s) HAL :

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

Résumé en anglais : [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 ...
Lire la suite >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.Lire moins >

Langue :

Anglais

Vulgarisation :

Non

Projet ANR :

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