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EPIC2D SIGNED

Engineering Electron-Phonon Interactions of Two-Dimensional Materials from First-Principles

Total Cost €

EC-Contrib. €

Partnership

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Outcomes and
results

EPIC2D project word cloud

Explore the words cloud of the EPIC2D project. It provides you a very rough idea of what is the project "EPIC2D" about.

will boltzmann tuned function tremendous strengths coupling two group extraordinary mechanisms 2d valuable interactions self stability freedom dichalcogenide doping deformation consistent rational generation principles insights fermi temperature strength electron graphene external couple theory elastic strategies perturbation receive wannier electronic strain transport mobilities first materials dichalcogenides charge opening susceptibilities employ limiting possibility electric density fundamental carrier mobility metal degrees monolayers amount transition material functions topologies lattice functional engineering vibrational dimensional surface phonon electromechanical dependence solids host limited of stabilities couplings gained

Project "EPIC2D" data sheet

The following table provides information about the project.

Coordinator	THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD Organization address address: WELLINGTON SQUARE UNIVERSITY OFFICES city: OXFORD postcode: OX1 2JD website: www.ox.ac.uk contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.
Coordinator Country	United Kingdom [UK]
Project website	http://giustino.materials.ox.ac.uk/
Total cost	183˙454 €
EC max contribution	183˙454 € (100%)
Programme	1. H2020-EU.1.3.2. (Nurturing excellence by means of cross-border and cross-sector mobility)
Code Call	H2020-MSCA-IF-2016
Funding Scheme	MSCA-IF-EF-ST
Starting year	2017
Duration (year-month-day)	from 2017-07-01 to 2019-06-30

Partnership

Take a look of project's partnership.

#	participants	country	role	EC contrib. [€]
1	THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD Organization address address: WELLINGTON SQUARE UNIVERSITY OFFICES city: OXFORD postcode: OX1 2JD website: www.ox.ac.uk contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	UK (OXFORD)	coordinator	183˙454.00

Map

Project objective

Two-dimensional (2D) materials such as graphene and transition metal dichalcogenide monolayers receive a tremendous amount of attention because of their extraordinary properties and application potential. Electron-phonon interactions, which couple the electronic and lattice vibrational degrees of freedom in solids, affect a wide range of material properties, for example lattice stability and carrier mobility. Importantly, the strength of electron-phonon interactions in 2D materials can be tuned to a significant extent by electric field doping and elastic deformation, opening up the possibility of rational engineering of electron-phonon interactions in 2D materials.

This project aims to employ the state-of-the-art first-principles methodologies developed in the host’s group, to study the electron-phonon interactions, lattice stabilities and carrier mobilities of 2D materials under different external conditions. Density functional perturbation theory and electron-phonon couplings based on Wannier functions will be used to characterize the electron-phonon coupling strengths, Fermi surface topologies and electronic susceptibilities of 2D transition metal dichalcogenides as a function of charge doping. The doping dependence of lattice and phase stability will be investigated. We will also employ the fully self-consistent first-principles Boltzmann transport approach being developed in the host’s group, to study the phonon-limited carrier mobilities of 2D transition metal dichalcogenides as a function of temperature, elastic strain and charge doping. The fundamental mechanisms limiting the charge mobilities of 2D materials and the strategies to enhance them will be studied. The insights gained within this project could provide valuable design principles for next-generation electronic, electromechanical and phase change devices based on 2D materials.

Publications

List of publications.
year	authors and title	journal	last update
2019	Wenbin Li, Samuel PoncÃ©, Feliciano Giustino Dimensional Crossover in the Carrier Mobility of Two-Dimensional Semiconductors: The Case of InSe published pages: 1774-1781, ISSN: 1530-6984, DOI: 10.1021/acs.nanolett.8b04799	Nano Letters 19/3	2019-06-07

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