Quantitative electron and spin transport theory for organic crystals based devices

Ziel

Predicting the electron and spin transport properties of organic crystals is a formidable theoretical challenge as these are determined both by the electronic structure of the individual molecules and by the morphology of the crystal. Quest's research program seeks at developing a fully quantitative theory for electron and spin transport in organic crystals, which does not rely on external parameters and can be applied to materials underpinning a multitude of applications, ranging from organic electronics, to spintronics, to energy. In particular we aim at combining state of the art density functional theory with advanced quantum transport methods and Monte Carlo simulations. We will then construct a hierarchical computational protocol enabling us to evaluate electron and spin transport across different length scales at finite temperature, including effects originating from external fields (electric and magnetic). Our developed tools will form a software package to be distributed freely to academia.

Wissenschaftliches Gebiet

Finanzierungsplan

ERC-SG - ERC Starting Grant

Gastgebende Einrichtung

THE PROVOST, FELLOWS, FOUNDATION SCHOLARS & THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY & UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN

EU-Beitrag

€ 1 492 728,00

Adresse

COLLEGE GREEN TRINITY COLLEGE
D02 CX56 DUBLIN 2
Irland

Region

Ireland Eastern and Midland Dublin

Aktivitätstyp

Higher or Secondary Education Establishments

Hauptforscher

Stefano Sanvito (Prof.)

Kontakt Verwaltung

Deirdre Savage (Ms.)

Links

Die Organisation kontaktieren Website

Gesamtkosten

Keine Daten

Begünstigte (1)