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Stefan T. Bromley

Stefan T. Bromley

Universitat de Barcelona

Engineering Sciences

Stefan Bromley heads the Nanoclusters and Nanostructured Materials ( group within the Institute of Theoretical and Computational Chemistry at the University of Barcelona (IQTC-UB). 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 >175 WoS-listed articles and 8 book chapters, which have received >6000 citations (WoS h-index = 37). He has given many invited talks about his work at international conferences and academic institutions and has co-edited two books and co-authored two reviews on computational modelling of nanoparticles and nanomaterials.

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 display novel size-dependent properties compared to materials at everyday length scales. Employing classical atomistic and quantum chemical modelling methods implemented on powerful supercomputers, we aim to provide a detailed predictive understanding of the structural, electronic and chemical properties of nanomaterials. We focus on how nanomaterials evolve with size, and designing new materials from nanoscale building blocks. Our research follows three main themes: (i) inorganic nanoclusters and nanostructured materials for energy applications (e.g TiO2, ZnO, CeO2), (ii) nucleation and properties of astronomically important nanomaterials (e.g. TiC, silicates), and (iii) design and understanding of low-dimensional materials for electronics/spintronics using organic molecular building blocks .

Selected publications

– Lozano, Kilian Jutglar; Santiago, Raul; Ribas-Arino, Jordi; Bromley, Stefan T. 2021, ‘Twistable dipolar aryl rings as electric field actuated conformational molecular switches’, Physical Chemistry Chemical Physics, 23, 6, 3844 – 3855.

– Alcon, Isaac; Santiago, Raul; Ribas-Arino, Jordi; Deumal, Merce; Moreira, Iberio de P. R.; Bromley, Stefan T. 2021, ‘Controlling pairing of pi-conjugated electrons in 2D covalent organic radical frameworks via in-plane strain’, Nature Communications, 12, 1, 1705.

– Mino, Lorenzo; Morales-Garcia, Angel; Bromley, Stefan T.; Illas, Francesc 2021, ‘Understanding the nature and location of hydroxyl groups on hydrated titania nanoparticles dagger’, Nanoscale, .

– Rimola, Albert; Bromley, Stefan T. 2021, ‘Formation of Interstellar Silicate Dust via Nanocluster Aggregation: Insights From Quantum Chemistry Simulations’, Frontiers In Astronomy And Space Sciences, 8, 659494.

– Marinoso Guiu, Joan; Macia Escatllar, Antoni; Bromley, Stefan T. 2021, ‘How Does Temperature Affect the Infrared Vibrational Spectra of Nanosized Silicate Dust?’, ACS Earth and Space Chemistry, 5, 4, 812 – 823.

– Ratera, I, Vidal-Gancedo, J, Maspoch, D, Bromley, ST, Crivillers, N, Mas-Torrent M, 2021, ‘Perspectives for polychlorinated trityl radicals‘, Journal of Materials Chemistry C, vol. 9, pp 10610-10623.

Selected research activities

Invited online seminar: “Nanoscale Silicate Stardust: Astrochemical Relevance and Observational Signatures”, Center for Interstellar Catalysis (InterCat), Aarhus University, Denmark, 4 May 2021.

Invited online talk: “Designing New Functional 2D Materials: Exploring the Potential of 2D Covalent Organic Radical Frameworks (2D-CORFs) at the European Materials Research Symposium Fall Meeting, Poland, 20-23 Sept. 2021

Invited online talk: “Assessing the viability of silicate nanoclusters as carriers of the anomalous microwave emission:
a quantum mechanical study”, at the European Conference on Laboratory Astrophysics, Italy, 26 Sept – 1 Oct 2021.

ICREA Memoir 2021