Computational NanoElectrochemistry Group
The group's research interests focus on quantum mechanical modelling of materials and electrochemical (EC) processes at the nanoscale. The team currently works to develop a new methodology to simulate EC devices – such as fuel and solar cells, batteries, supercapacitors and sensors - in operation, including the effect of applied potential and electric currents. They use this to study problems like EC corrosion, water splitting, redox switching and current induced effects at nanointerfaces.
Dr. Cucinotta joined the Department of Chemistry at Imperial College London in 2018 with an independent fellowship funded by EPSRC. She moved to Imperial from the School of Physics at Trinity College Dublin (IE), where she undertook investigations of different electron transport problems at interfaces and in molecular junctions, and developed new models for environmental stability and chemical reactivity of 2D materials. Previously, she worked at ETHZ (CH), where she pioneered novel molecular dynamics techniques to model chemical transformation and mass diffusion in solids and liquids, and matured an interest for the energy problem, studying Hydrogen storage and energy conversion in SOFCs. Following her master in Condensed Matter Physics at University of Messina (IT), Dr. Cucinotta was awarded a PhD from University of Modena and the excellence centre INFM-CNR-S3 (IT); her doctoral research activity focused on the theoretical modelling of self-assembly and semiconductor surfaces' functionalization with organic molecules.
et al., 2017, An in situ and ex situ TEM study into the oxidation of titanium (IV) sulphide, Npj 2d Materials and Applications, Vol:1, ISSN:2397-7132
et al., 2016, Current-induced phonon renormalization in molecular junctions, Phys. Rev. B, Vol:94, Pages:035411-035411
et al., 2015, Liquid exfoliation of solvent-stabilized few-layer black phosphorus for applications beyond electronics, Nature Communications, Vol:6, ISSN:2041-1723
et al., 2015, Electronic Properties and Chemical Reactivity of TiS2 Nanoflakes, Journal of Physical Chemistry C, Vol:119, ISSN:1932-7447, Pages:15707-15715
et al., 2015, Basal-Plane Functionalization of Chemically Exfoliated Molybdenum Disulfide by Diazonium Salts, Acs Nano, Vol:9, ISSN:1936-0851, Pages:6018-6030