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Modelling 2D Transition Metal Dichalcogenide Heterostructures

Total Cost €


EC-Contrib. €






 MODHET project word cloud

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

possibility    experimental    gw    compare    nanoelectronics    excitons    decade    experiment    bound    progress    2d    dynamical    theory    decades    size    charged    body    time    profound    functional    first    simulations    mostly    correlation    basque    fellowship    guide    functionals    perform    tddft    direct    group    be    exchange    equation    indirect    algorithms    expert    excitonic    condensed    kinds    university    international    gap    versatile    spain    acquired    description    band    nano    synthesizing    prof    density    material    perturbation    charge    versus    experimentally    types    self    principles    plasmonics    host    stacking    involve    photoelectronics    limited    handle    layers    hosted    accurate    significantly    existence    atomically    bulk    unexpected    energy    heterostructures    country    thin    angel    physics    standpoint    tmds    formed    bio    materials    although    forms    tmd    codes    theoretical    groups    impacts    salpeter    tightly    rubio    nature    transfer    science    exploring    dependent    demonstrated   

Project "MODHET" data sheet

The following table provides information about the project.


Organization address
city: Munich
postcode: 80539

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 Germany [DE]
 Project website
 Total cost 171˙460 €
 EC max contribution 171˙460 € (100%)
 Programme 1. H2020-EU.1.3.2. (Nurturing excellence by means of cross-border and cross-sector mobility)
 Code Call H2020-MSCA-IF-2015
 Funding Scheme MSCA-IF-EF-ST
 Starting year 2017
 Duration (year-month-day) from 2017-03-03   to  2019-03-02


Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 


 Project objective

Although TMDs have been studied for decades, studies have been mostly limited to bulk materials. The properties of TMDs in atomically thin 2D forms can be significantly different from those in the bulk, such as the size of the band gap, the nature of the band gap (direct versus indirect), the existence of tightly-bound charged excitons. The physics of heterostructures formed by stacking different kinds of TMD layers are even more versatile and unexpected. While recent studies have experimentally demonstrated the possibility of synthesizing such novel 2D materials, the present project aims to study these new types of materials from a theoretical standpoint. We will perform state-of-the-art first-principles simulations using the most advanced exchange-correlation functionals developed in the host group for the accurate description of dynamical and charge transfer process within the time dependent density functional theory (TDDFT) as well as many-body perturbation approaches using the GW self-energy and including excitonic effects at the level of the Bethe Salpeter equation. We will also develop and implement new multi-scale algorithms in the codes needed to handle some of the tasks detailed in the project. This European Fellowship project will be hosted by a leading expert in the field, Prof. Angel Rubio of the University of the Basque Country (Spain). The project will also involve collaboration with top international experiment groups. The theoretical results acquired in this project will be used to guide and compare to experimental results with the goal of developing novel devices for future advances in nanoelectronics, photoelectronics and plasmonics. The progress of this project in exploring and understanding new physics of 2D TMDs and developing novel devices will have profound impacts on condensed matter physics, material science, as well as nano- and bio-science in the next decade.


year authors and title journal last update
List of publications.
2018 Georgies Alene Asres, José J. Baldoví, Aron Dombovari, Topias Järvinen, Gabriela Simone Lorite, Melinda Mohl, Andrey Shchukarev, Alejandro Pérez Paz, Lede Xian, Jyri-Pekka Mikkola, Anita Lloyd Spetz, Heli Jantunen, Ángel Rubio, Krisztian Kordás
Ultrasensitive H2S gas sensors based on p-type WS2 hybrid materials
published pages: 4215-4224, ISSN: 1998-0124, DOI: 10.1007/s12274-018-2009-9
Nano Research 11/8 2019-04-18
2018 Alexander Kerelsky, Leo McGilly, Dante M. Kennes, Lede Xian, Matthew Yankowitz, Shaowen Chen, K. Watanabe, T. Taniguchi, James Hone, Cory Dean, Angel Rubio, Abhay N. Pasupathy
Magic Angle Spectroscopy
published pages: , ISSN: , DOI:
2018 Lede Xian, Dante M. Kennes, Nicolas Tancogne-Dejean, Massimo Altarelli, Angel Rubio
Multi-flat bands and strong correlations in Twisted Bilayer Boron Nitride
published pages: , ISSN: , DOI:
2018 Junji Yuhara, Yuya Fujii, Kazuki Nishino, Naoki Isobe, Masashi Nakatake, Lede Xian, Angel Rubio, Guy Le Lay
Large area planar stanene epitaxially grown on Ag(1 1 1)
published pages: 25002, ISSN: 2053-1583, DOI: 10.1088/2053-1583/aa9ea0
2D Materials 5/2 2019-04-18
2017 Lede Xian, Alejandro Pérez Paz, Elisabeth Bianco, Pulickel M Ajayan, Angel Rubio
Square selenene and tellurene: novel group VI elemental 2D materials with nontrivial topological properties
published pages: 41003, ISSN: 2053-1583, DOI: 10.1088/2053-1583/aa8418
2D Materials 4/4 2019-04-18

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The information about "MODHET" are provided by the European Opendata Portal: CORDIS opendata.

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