Stefan T. Bromley

Universitat de Barcelona

Engineering Sciences

Stefan Bromley (1971) is an ICREA Research Professor at the Institute of Theoretical and Computational Chemistry at the University of Barcelona (IQTC-UB) where he heads the Nanoclusters and Nanostructured Materials group. He obtained his PhD in Computational Physics (University of Southampton, UK) in 1997 and has held research posts in the UK (Postdoctoral fellow, Royal Institution), the Netherlands (Associate Professor, Delft University of Technology) and Spain (Ramón y Cajal fellow, UB). He has published >160 WoS-listed articles and 8 book chapters, which have received >4500 citations (h-index = 35). He has given many invited talks about his work at international conferences and academic institutions and has edited two books on the theme of computational modelling of nanomaterials and nanoparticles.

Research interests

With the constant technological drive for device miniaturisation, materials are increasingly being used at scales of only a few 100s or 1000s of atoms (i.e. the nanoscale). Such nanomaterials often display novel size-dependent properties compared to materials at everyday length scales. Using powerful supercomputers and both atomistic and quantum modelling methods, we aim to provide a detailed predictive understanding of the structural, electronic and chemical properties of nanomaterials. Our focus is on how nanomaterials evolve with increasing size, and designing new materials from nanoscale building blocks. Our research follows three main themes: (i) nanoclusters and nanostructured materials for energy applications (e.g TiO2, ZnO), (ii) nucleation and properties of astronomically important nanomaterials (e.g. TiC, silicates), (iii) design of nanostructured materials using organic molecular building blocks for electronics/spintronics.

Selected publications

- Pinero JJ, Ramirez PJ, Bromley ST, Illas FI, Vines FV & Rodriguez JA 2018, 'Diversity of Adsorbed Hydrogen on the TiC(001) Surface at High Coverages', Journal Of Physical Chemistry C, 122, 49, 28013 - 28020.

- Cuko A, Escatllar AM, Calatayud M & Bromley ST  2018, 'Properties of hydrated TiO2 and SiO2 nanoclusters: dependence on size, temperature and water vapour pressure', Nanoscale, 10, 45, 21518 - 21532.

- Cuko A, Calatayud M & Bromley ST 2018, 'Stability of mixed-oxide titanosilicates: dependency on size and composition from nanocluster to bulk', Nanoscale, 10, 2, 832 - 842.

- Alcon I & Bromley ST 2018, 'Triarylmethyl-based 2D covalent networks: virtual screening of chemical functionalisation for optimising strain-induced property control', Physical Chemistry Chemical Physics, 20, 7, 5028 - 5035.

- Gobrecht D, Decin L, Cristallo S & Bromley ST 2018, 'A global optimisation study of the low-lying isomers of the alumina octomer (Al2O3)(8)', Chemical Physics Letters, 711, 138 - 147.

Selected research activities

Edited book: 'Computational Modelling of Nanoparticles', editors Bromley, Stefan T. and Woodley, Scott M., Frontiers of Nanoscience book series, Elsevier, ISBN 987-0-08-102232-0.

Invited conference talk: 'Tracking The Properties Of Oxides From Nanoscale To Bulk: Implications For Nano-Oxide Based Technologies', IUVSTA Workshop on Physics and Chemistry of Nanoscale Oxide Systems, Avila, Spain, July 2018.

Invited conference talk: 'Structure and Reactivity of Interstellar Nanodust', at the European Conference on Surface Science, ECOSS 34, Aarhus, Denmark, August 2018.

Invited conference talk: 'Tracking the Properties of Oxide Materials from Nanoscale to Bulk', at IEEE NANO 2018, Cork, Ireland, July 2018.

Conference talk: 'Post-graphene organic Dirac materials with tunable spin-polarised and semiconducting states', Graphene Week 2018, San Sebastian, Spain, September 2018.