Ab-initio modelling photo-excited functional molecules at metal surfaces
Lead Research Organisation:
University of Warwick
Department Name: Chemistry
Abstract
Hybrid organic-inorganic interfaces are key to many modern electronics and energy applications. This project aims at accurately predicting electronic excited states and
opto-electronic properties of functional organic molecules adsorbed at metal surfaces from ab-initio electronic structure methods.
Using Density Functional Theory methods, the student will study spectroscopic phenomena and excited-state dynamics of functional molecules at metal surfaces and hybrid layered materials.
opto-electronic properties of functional organic molecules adsorbed at metal surfaces from ab-initio electronic structure methods.
Using Density Functional Theory methods, the student will study spectroscopic phenomena and excited-state dynamics of functional molecules at metal surfaces and hybrid layered materials.
