Project

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Electronic transport in complex graphene nanostructures

Applicant Yazyev Oleg
Number 172543
Funding scheme Project funding
Research institution Institut de physique EPFL - SB - IPHYS
Institution of higher education EPF Lausanne - EPFL
Main discipline Condensed Matter Physics
Start/End 01.04.2018 - 31.03.2022
Approved amount 454'905.00
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All Disciplines (2)

Discipline
Condensed Matter Physics
Material Sciences

Keywords (9)

nanostructures; electronic transport ; junctions; 2D materials; nanoribbons; wrinkles; simulations; defects; graphene

Lay Summary (French)

Lead
Le graphène, le premier matériau bidimensionnel jamais produit, continue d’attirer de l’attention en raison de ses propriétés physiques extraordinaires ainsi que des perspectives d’applications technologiques dans des domaines tels que l’électronique. Dans le même temps, les propriétés inusuelles de ce nouveau matériau posent nombre de défis quant à la façon de réaliser de manière fructueuse son potentiel technologique.
Lay summary

Ce projet vise à résoudre deux de ces défis au moyen de simulation numériques de nanostructures complexes de graphène en utilisant une variété de méthodes numériques. La première partie du projet adresse les caractéristiques électriques de circuits de graphène produits par la route de l’auto-assemblage assisté en surface, avec comme objectif final de concevoir des principes pour produire des dispositifs de graphène à échelle nanométrique en partant de précurseurs moléculaires. Le second objectif de ce projet est de comprendre le rôle du désordre hors plan qui apparaît exclusivement dans les matériaux bidimensionnels, tels que les ondulations, les ridules et les plis, sur les propriétés électriques du graphène. Les résultats de ce projet sont d’une importance cruciale pour de futures applications technologiques de ce matériau révolutionnaire.

Direct link to Lay Summary Last update: 26.02.2018

Lay Summary (English)

Lead
Graphene, the first truly two-dimensional material ever produced, keeps attracting attention due to its extraordinary physical properties and prospective technological applications in domains such as electronics. At the same time, the unusual properties of this novel material pose a number of challenges on the way to successfully realizing its technological potential.
Lay summary

This project aims at solving two of such outstanding challenges by means of numerical simulations of complex graphene nanostructures using a range of computational methods. The first part of the project addresses electrical characteristics of graphene circuits produced by the so-called surface-assisted self-assembly route, with an ultimate goal of formulating design principles for producing nanometer scale graphene devices starting from molecular precursors.  The second objective of the project is to understand the role of out-of-plane disorder which appears exclusively in two-dimensional materials, such as ripples, wrinkles and folds, on the electrical properties of graphene. The results of this project are of crucial importance for the future technological applications of this revolutionary material.

Direct link to Lay Summary Last update: 26.02.2018

Responsible applicant and co-applicants

Employees

Publications

Publication
Edge Disorder in Bottom-Up Zigzag Graphene Nanoribbons: Implications for Magnetism and Quantum Electronic Transport
Pizzochero Michele, Barin Gabriela Borin, Čerņevičs Kristians, Wang Shiyong, Ruffieux Pascal, Fasel Roman, Yazyev Oleg V. (2021), Edge Disorder in Bottom-Up Zigzag Graphene Nanoribbons: Implications for Magnetism and Quantum Electronic Transport, in The Journal of Physical Chemistry Letters, 12(19), 4692-4696.
Quantum electronic transport across ‘bite’ defects in graphene nanoribbons
Pizzochero Michele, Čerņevičs Kristiāns, Borin Barin Gabriela, Wang Shiyong, Ruffieux Pascal, Fasel Roman, Yazyev Oleg V (2021), Quantum electronic transport across ‘bite’ defects in graphene nanoribbons, in 2D Materials, 8(3), 035025-035025.
Landau Levels as a Probe for Band Topology in Graphene Moiré Superlattices
Wu QuanSheng, Liu Jianpeng, Guan Yifei, Yazyev Oleg V. (2021), Landau Levels as a Probe for Band Topology in Graphene Moiré Superlattices, in Physical Review Letters, 126(5), 056401-056401.
Electronic transport across quantum dots in graphene nanoribbons: Toward built-in gap-tunable metal-semiconductor-metal heterojunctions
Čerņevičs Kristiāns, Yazyev Oleg V., Pizzochero Michele (2020), Electronic transport across quantum dots in graphene nanoribbons: Toward built-in gap-tunable metal-semiconductor-metal heterojunctions, in Physical Review B, 102(20), 201406-201406.
Structural Phase Transition and Bandgap Control through Mechanical Deformation in Layered Semiconductors 1T–ZrX 2 (X = S, Se)
Martino Edoardo, Santos-Cottin David, Le Mardelé Florian, Semeniuk Konstantin, Pizzochero Michele, Čerņevičs Kristians, Baptiste Benoît, Delbes Ludovic, Klotz Stefan, Capitani Francesco, Berger Helmuth, Yazyev Oleg V., Akrap Ana (2020), Structural Phase Transition and Bandgap Control through Mechanical Deformation in Layered Semiconductors 1T–ZrX 2 (X = S, Se), in ACS Materials Letters, 2(9), 1115-1120.
Even–odd conductance effect in graphene nanoribbons induced by edge functionalization with aromatic molecules: basis for novel chemosensors
Čerņevičs Kristiāns, Pizzochero Michele, Yazyev Oleg V. (2020), Even–odd conductance effect in graphene nanoribbons induced by edge functionalization with aromatic molecules: basis for novel chemosensors, in Eur. Phys. J. Plus, 135, 681.
Inducing Magnetic Phase Transitions in Monolayer CrI3 via Lattice Deformations
Pizzochero Michele, Yazyev Oleg V. (2020), Inducing Magnetic Phase Transitions in Monolayer CrI3 via Lattice Deformations, in The Journal of Physical Chemistry C, 124(13), 7585-7590.
Light induced electron spin resonance properties of van der Waals CrX3 (X = Cl, I) crystals
Singamaneni S. R., Martinez L. M., Niklas J., Poluektov O. G., Yadav R., Pizzochero M., Yazyev O. V., McGuire M. A. (2020), Light induced electron spin resonance properties of van der Waals CrX3 (X = Cl, I) crystals, in Appl. Phys. Lett., (117), 082406.
Magnetic exchange interactions in monolayer CrI3 from many-body wavefunction calculations
Pizzochero Michele, Yadav Ravi, Yazyev Oleg V (2020), Magnetic exchange interactions in monolayer CrI3 from many-body wavefunction calculations, in 2D Materials, 7, 035005.
Probing magnetism in atomically thin semiconducting PtSe2
Avsar Ahmet, Cheon Cheol-Yeon, Pizzochero Michele, Tripathi Mukesh, Ciarrocchi Alberto, Yazyev Oleg V., Kis Andras (2020), Probing magnetism in atomically thin semiconducting PtSe2, in Nature Communications, 11, 4806.
Defect induced, layer-modulated magnetism in ultrathin metallic PtSe2
Avsar Ahmet, Ciarrocchi Alberto, Pizzochero Michele, Unuchek Dmitrii, Yazyev Oleg V., Kis Andras (2019), Defect induced, layer-modulated magnetism in ultrathin metallic PtSe2, in Nature Nanotechnology, 14(7), 674-678.
Manipulating Topological Domain Boundaries in the Single-Layer Quantum Spin Hall Insulator 1T′–WSe2
(2019), Manipulating Topological Domain Boundaries in the Single-Layer Quantum Spin Hall Insulator 1T′–WSe2, in Nano Lett., 19(8), 5634-5639.

Datasets

Design rules for interconnects based on graphene nanoribbon junctions

Author Cernevics, Kristians; Yazyev, Oleg V.
Persistent Identifier (PID) 10.24435/materialscloud:zb-ed
Repository Materials Cloud


Scientific events

Active participation

Title Type of contribution Title of article or contribution Date Place Persons involved
APS March meeting Talk given at a conference Unconventional Flat Chern Bands and Preformed 2e Charges in Skyrmionic Moiré Superlattices 14.03.2022 Chicago, United States of America Guan Yifei;
APS March Meeting Talk given at a conference Transistors based on graphene nanoribbon triple junctions 03.03.2022 Chicago, United States of America Pizzochero Michele; Cernevics Kristians;
Graphene 2021 Poster Electronic transport across graphene nanoribbon junctions 26.10.2021 Grenoble, France Cernevics Kristians;
APS March Meeting Talk given at a conference Designing interconnects based on graphene nanoribbon junctions 15.03.2021 Virtual, United States of America Cernevics Kristians;
APS March meeting Talk given at a conference The Landau levels of Euler insulator 15.03.2021 online, United States of America Guan Yifei;
CMD2020GEFES, Physics in 2D Nanoarchitectonics Talk given at a conference Quantum electronic transport across "bite" defects in graphene nanoribbons 31.08.2020 Madrid (online), Spain Pizzochero Michele;
Marvel junior seminars Individual talk Designing transport properties of graphene nanoribbon junctions 06.12.2019 Lausanne, Switzerland Cernevics Kristians;
CECAM 50 Poster Designing graphene nanoribbon junctions 09.09.2019 Lausanne, Switzerland Cernevics Kristians;
Join Annual Meeting of the Swiss and Austrial Physical Societies 2019 Talk given at a conference Picture of the wet electron: A localized transient state in liquid water 26.08.2019 Zurich, Switzerland Pizzochero Michele;
Physics by the lake Poster Designing graphene nanoribbon junctions 05.08.2019 Stirling, Great Britain and Northern Ireland Cernevics Kristians;
Advanced Electronic Structure Methods in Condensed Matter Physics Poster Designing transport properties of graphene nanoribbon junctions 08.07.2019 Lausanne, Switzerland Cernevics Kristians;
Theory Meets Experiment in Low-Dimensional Structures with Correlated Electrons Talk given at a conference To bend or not to bend? Correlation effects in low-dimensional silicon 01.07.2019 Prague, Czech Republic Pizzochero Michele;
Electronic transport and dynamics in graphene and 2D transition metal dichalcogenides Poster Designing transport properties of graphene nanoribbon junctions 27.06.2019 Cergy-Pontoise, France Cernevics Kristians;
APS March Meeting Talk given at a conference Point defects in 1T'-MoS2 from first principles 04.03.2019 Boston, United States of America Pizzochero Michele;
MARVEL Junior Seminars Individual talk To bend or not to bend, the dilemma of multiple bonds 14.02.2019 Lausanne, Switzerland Pizzochero Michele;
International Workshop on Computational Design and Discovery of Novel Materials Poster Intrinsic and engineered point defects in 1T'-MoS2 10.09.2018 Lausanne, Switzerland Pizzochero Michele;
Defects in Solids: Quantum Mechanics Meets Topology Talk given at a conference Intrinsic and engineered point defects in two-dimensional 1T'-MoS2 09.07.2018 Trieste, Italy Pizzochero Michele;
2D Materials Explored via Scanning Probe Microscopy and Spectroscopy Talk given at a conference Intrinsic and engineered point defects in two-dimensional 1T'-MoS2 25.06.2018 San Sebastian, Spain Pizzochero Michele;


Self-organised

Title Date Place
Advanced Electronic Structure Methods in Condensed Matter Physics 08.07.2019 Lausanne, Switzerland

Awards

Title Year
Best poster award (Physics by the lake) 2019

Associated projects

Number Title Start Funding scheme
204254 Design of novel electronic phases in two-dimensional and layered systems 01.04.2022 Project funding
162612 Crystalline phases and structural defects in two-dimensional transition metal dichalcogenides 01.02.2016 Project funding
133552 Dirac fermion materials: from fundamental science to applications through computation 01.09.2011 SNSF Professorships
171003 Discovery and Nanoengineering of Novel Skyrmion-hosting Materials 01.10.2017 Sinergia
141828 NCCR MARVEL: Materials’ Revolution: Computational Design and Discovery of Novel Materials (phase I) 01.05.2014 National Centres of Competence in Research (NCCRs)

Abstract

More than a decade since its first successful realization, graphene continues to draw increasing attention due to its outstanding physical properties. The two-dimensional (2D) character and unusual electronic structure of this material promise novel, revolutionary applications, but at the same time pose significant challenges on the way to successfully realizing its technological potential. The proposed research program will address two such challenges related to understanding the electronic transport phenomena in complex graphene nanostructures. In particular, charge-carrier dynamics in graphene circuits produced by the surface-assisted self-assembly from molecular precursors, and in graphene with out-of-plane disorder will be investigated. The objectives are to:•understand the physical mechanisms governing charge-carrier transmission across junctions (heterojunctions, two- and multi-terminal junctions) of self-assembled graphene nanoribbons (GNRs);•formulate design principles relating initial precursor molecules and the electronic transport properties of complex graphene circuits produced from these precursor molecules; •investigate ballistic transmission across individual ripples, wrinkles and folds in graphene;•understand electronic transport in realistic large-scale models of graphene with out-of-plane disorder across different transport regimes.The goals of this project will be achieved by means of numerical simulations of electronic transport performed on large-scale realistic models and using a range of computational methods. The results are expected to make a strong impact in the fundamental science of graphene and to advance practical applications of this material. The project proposal seeks funding for two PhD student positions in the group of Prof. Oleg Yazyev (Institute of Physics, EPFL).
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