My research interests are in the field of the electronic structure, with a specific focus in Density Functional Theory (DFT). Within my current project, I am carrying on an investigation of possible battery materials (both electrodes and electrolytes) for novel lithium/sodium based applications. This study involves the calculation of the electronic and structural properties for a variety of materials, as well as the characterisation of ionic diffusivity. The latter is calculated using the state-of-the-art implementation of the nudged elastic band (NEB) method. The project involves close collaboration with the experimental section of the research group.
I have a solid background in condensed matter physics, developed during my bachelor and master at the University of Trieste, and further expanded during my PhD at King's College London with concept closely related to atomistic materials science. My former projects include the investigation of the atomistic mechanism of graphene growth on metallic surfaces (work which was initiated during my MSc) and the characterisation of the mechanical properties of Ni-based alloys (PhD project). Within the first project, density functional theory (DFT) calculations, augmented with semi-empirical van der Waals corrections, are employed to obtain accurate adsorption properties. This work includes the calculation of a number of transition barriers using the nudged elastic band (NEB) method to characterise the growth mechanism of a graphene layer and to understand the role of hydrogen on experimentally relevant adsorption geometries. Within the latter project, DFT is coupled to a classical interatomic potential to perform multi-precision simulations of dislocation glide in nickel alloys.
- BSc Physics, University of Trieste
- MSc Physics, University of Trieste
- PhD Physics, King's College London (link-to-thesis)
My Google scholar account
- 15 May 2018 - new publication: A first-principle investigation of the Li diffusion mechanism in the super-ionic conductor lithium orthothioborate Li3BS3 structure Materials letters 219 Pages 186-189
- 16 March 2018 - the final part of the work regarding graphene growth on nickel is published in Science. Links to press release English - Italian
- 12 March 2018 - new publication: A first principle comparative study of the ionic diffusivity in LiAlO2 and NaAlO2 polymorphs for solid-state battery applications Phys. Chem. Chem. Phys., 2018, 20, 9824-9832
- 30 Sept. 2017 - new paper submission: A first-principle structural and electro-chemical study of NaMPO4 (M = Mn, Fe, Co, Ni) novel structures for application as sodium-ion battery cathodes
- 18 Sept. 2017: in Vienna, attending the 24th WIEN2k workshop (link)
Atomic scale identification of coexisting graphene structures on Ni (111) F Bianchini, LL Patera, M Peressi, C Africh, G Comelli The journal of physical chemistry letters 5 (3), 467-473 DOI: 10.1021/jz402609d
Temperature-Driven Changes of the Graphene Edge Structure on Ni (111): Substrate vs Hydrogen Passivation LL Patera, F Bianchini, G Troiano, C Dri, C Cepek, M Peressi, C Africh, G Comelli Nano letters 15 (1), 56-62 DOI: 10.1021/nl5026985
Modelling defects in Ni–Al with EAM and DFT calculations F Bianchini, JR Kermode, A De Vita Modelling and Simulation in Materials Science and Engineering 24 (4), 045012 DOI: 10.1088/0965-0393/24/4/045012
First-principles study of the structural stability and electrochemical properties of Na 2 MSiO 4 (M= Mn, Fe, Co and Ni) polymorphs F Bianchini, H Fjellvåg, P Vajeeston Physical Chemistry Chemical Physics 19 (22), 14462-14470 DOI: 10.1039/C7CP01395G