Atomistic Insight into the Formation of Metal-Graphene One-Dimensional Contacts

Bernhard Kretz, Christian Søndergaard Pedersen, Daniele Stradi, Mads Brandbyge, Aran Garcia-Lekue*

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

343 Downloads (Pure)

Abstract

Motivated by the need to control the resistance of metal-graphene interfaces, we have simulated the structural and transport properties of edge contacts upon their formation. Our first-principles calculations reveal that the contacts evolve in a nontrivial way depending on the type of metal and the chemical contamination of the graphene edge. In particular, our results indicate that the origin of the low experimental resistance of chromium-graphene edge contacts is related to their weaker variation upon contamination and defect formation. In summary, by analyzing the distance dependence of the graphene-metal interaction and the relation between the reactivity and forces at the graphene edge, we shed new light on the mechanisms responsible for the diverse performance of experimentally fabricated graphene edge contacts.
Original languageEnglish
JournalPhysical Review Applied
Volume10
Issue number2
Number of pages8
ISSN2331-7019
DOIs
Publication statusPublished - 2018

Cite this

@article{63022ed07bd54be390568bdec9b5b4f3,
title = "Atomistic Insight into the Formation of Metal-Graphene One-Dimensional Contacts",
abstract = "Motivated by the need to control the resistance of metal-graphene interfaces, we have simulated the structural and transport properties of edge contacts upon their formation. Our first-principles calculations reveal that the contacts evolve in a nontrivial way depending on the type of metal and the chemical contamination of the graphene edge. In particular, our results indicate that the origin of the low experimental resistance of chromium-graphene edge contacts is related to their weaker variation upon contamination and defect formation. In summary, by analyzing the distance dependence of the graphene-metal interaction and the relation between the reactivity and forces at the graphene edge, we shed new light on the mechanisms responsible for the diverse performance of experimentally fabricated graphene edge contacts.",
author = "Bernhard Kretz and Pedersen, {Christian S{\o}ndergaard} and Daniele Stradi and Mads Brandbyge and Aran Garcia-Lekue",
year = "2018",
doi = "10.1103/PhysRevApplied.10.024016",
language = "English",
volume = "10",
journal = "Physical Review Applied",
issn = "2331-7019",
publisher = "American Physical Society",
number = "2",

}

Atomistic Insight into the Formation of Metal-Graphene One-Dimensional Contacts. / Kretz, Bernhard; Pedersen, Christian Søndergaard; Stradi, Daniele; Brandbyge, Mads; Garcia-Lekue, Aran.

In: Physical Review Applied, Vol. 10, No. 2, 2018.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - Atomistic Insight into the Formation of Metal-Graphene One-Dimensional Contacts

AU - Kretz, Bernhard

AU - Pedersen, Christian Søndergaard

AU - Stradi, Daniele

AU - Brandbyge, Mads

AU - Garcia-Lekue, Aran

PY - 2018

Y1 - 2018

N2 - Motivated by the need to control the resistance of metal-graphene interfaces, we have simulated the structural and transport properties of edge contacts upon their formation. Our first-principles calculations reveal that the contacts evolve in a nontrivial way depending on the type of metal and the chemical contamination of the graphene edge. In particular, our results indicate that the origin of the low experimental resistance of chromium-graphene edge contacts is related to their weaker variation upon contamination and defect formation. In summary, by analyzing the distance dependence of the graphene-metal interaction and the relation between the reactivity and forces at the graphene edge, we shed new light on the mechanisms responsible for the diverse performance of experimentally fabricated graphene edge contacts.

AB - Motivated by the need to control the resistance of metal-graphene interfaces, we have simulated the structural and transport properties of edge contacts upon their formation. Our first-principles calculations reveal that the contacts evolve in a nontrivial way depending on the type of metal and the chemical contamination of the graphene edge. In particular, our results indicate that the origin of the low experimental resistance of chromium-graphene edge contacts is related to their weaker variation upon contamination and defect formation. In summary, by analyzing the distance dependence of the graphene-metal interaction and the relation between the reactivity and forces at the graphene edge, we shed new light on the mechanisms responsible for the diverse performance of experimentally fabricated graphene edge contacts.

U2 - 10.1103/PhysRevApplied.10.024016

DO - 10.1103/PhysRevApplied.10.024016

M3 - Journal article

VL - 10

JO - Physical Review Applied

JF - Physical Review Applied

SN - 2331-7019

IS - 2

ER -