H2020Индивидуална стипендия2016–2017

DEMONH · DEsign of Multifunctional 2D-OrgaNic Hybrids

„Хоризонт 2020“ — Действия „Мария Склодовска-Кюри“

Период: 2016-01-01 → 2017-12-31
Финансиране от ЕС: 172 800 €
Участници: 1
Схема: MSCA-IF-EF-ST

Линиите свързват координатора с партньорите.

Накратко на български

Теоретични модели анализират как се движат електрическите заряди в двуизмерни материали, като например молибден дисулфид (MoS2). Това помага за разбирането на свойствата на новите многофункционални материали, които могат да се използват в бъдещи технологични сектори.

Този кратък обзор е генериран от изкуствен интелект

Кратко обяснение, генерирано от езиков модел по текста на CORDIS. Оригиналът е по-долу.

Резултати накратко

DEsign of Multifunctional 2D-OrgaNic Hybrids

Applying state-of-the-art computational modeling techniques, we have addressed important issues associated with the electro-optical properties and charge transport in semiconducting materials, namely the role of point defects in the photophysics of 2D materials like MoS2 and 2D/3D organic-inorganic hybrid perovskites. While this project is focusing on the fundamental understanding in 2D and 3D materials, it is of paramount importance to the society. The eventual technologies and commercial advantage of the 2D and 3D materials will be assessed in view of the development and direct commercialization of multicomponent thus multifunctional materials as a new class of chemical products. The possibilities to establish direct collaborations with private companies will be possible, in terms of assessing the potential application of a multicomponent approach to new, still unforeseen, technological sectors. The overall objective is to develop different theoretical methods which could be potentially used to understanding the charge transport, phonon adsorption/emission in 2D inorganic materials (e.g., MoS2) as well as electronic excitations in 2D and 3D organic-inorganic hybrid perovskites with and without defects.

Текст от CORDIS, на английски · Данни: CORDIS, © Европейски съюз

Цел на проекта

Because of their reduced dimensionality and symmetry, two-dimensional (2D) materials withstand physical phenomena that are very different from their 3D bulk counterparts. Beside graphene, other members of the same family of materials include metal dichalcogenides (MX2) and hexagonal boron nitride (h-BN). Remarkably, while single-layer graphene is a semimetal, 2D h-BN is an insulator and 2D MoS2 is a direct bandgap semiconductor. A new paradigm in materials science consists in piling up into vertical stacks single sheets of 2D materials with complementary electro-optical characteristics, thereby paving the way to the fabrication of ultrathin and flexible multilayer heterostructure devices. DEMONH aims at designing multilayer architectures based on 2D material building blocks with tunable electronic structure and optical properties that can be prepared by solution processing techniques. Among many others, this approach offers the unique advantage that the electrical and optical characteristics of the elementary 2D units can be tuned over a broad range by functionalization of their surface with properly designed conjugated organic molecules, which: (i) assist in the exfoliation process and stabilize single or multiple layers as suspensions in the liquid phase; and (ii) convey to the resulting hybrid organic-2D materials new or improved functionalities. In particular, the use of light-responsive molecules opens up the possibility to remotely switch on and off charge injection and extraction at interfaces. In DEMONH, we will combine state of the art modeling tools to design multifunctional electro-active conjugated molecules yielding optimized (light-triggered) energy level alignment at interfaces and charge transport properties in stacked 2D layer architectures. Such design strategies require the development of appropriate theoretical models and their coding in efficient software programs, which will be implemented in a multiscale modeling platform.

Оригинален текст от CORDIS (на английски).

Участници

UNIVERSITE DE MONS · MonsКоординаторБелгия