Understanding the interplay between size, morphology and energy gap in photoactive TiO 2 nanoparticles Á Morales-García, AM Escatllar, F Illas, ST Bromley Nanoscale 11 (18), 9032-9041, 2019 | 58 | 2019 |
Structure and Properties of Nanosilicates with Olivine (Mg2SiO4)N and Pyroxene (MgSiO3)N Compositions AM Escatllar, T Lazaukas, SM Woodley, ST Bromley ACS Earth and Space Chemistry 3 (11), 2390-2403, 2019 | 36 | 2019 |
What can infrared spectra tell us about the crystallinity of nanosized interstellar silicate dust grains? L Zamirri, A Macia Escatllar, J Marinoso Guiu, P Ugliengo, ST Bromley ACS Earth and Space Chemistry 3 (10), 2323-2338, 2019 | 24 | 2019 |
Properties of hydrated TiO 2 and SiO 2 nanoclusters: dependence on size, temperature and water vapour pressure A Cuko, AM Escatllar, M Calatayud, ST Bromley Nanoscale 10 (45), 21518-21532, 2018 | 18 | 2018 |
Modeling hydroxylated nanosilica: Testing the performance of ReaxFF and FFSiOH force fields A Macià Escatllar, P Ugliengo, ST Bromley The Journal of Chemical Physics 146 (22), 224704, 2017 | 18 | 2017 |
Global optimisation of hydroxylated silica clusters: A cascade Monte Carlo Basin Hopping approach A Cuko, A Maciá, M Calatayud, ST Bromley Computational and Theoretical Chemistry 1102, 38-43, 2017 | 18 | 2017 |
Assessing the viability of silicate nanoclusters as carriers of the anomalous microwave emission: a quantum mechanical study AM Escatllar, ST Bromley Astronomy & Astrophysics 634, A77, 2020 | 14 | 2020 |
Efficient preparation of TiO2 nanoparticle models using interatomic potentials A Macià Escatllar, Á Morales-García, F Illas, ST Bromley The Journal of Chemical Physics 150 (21), 2019 | 12 | 2019 |
How does temperature affect the infrared vibrational spectra of nanosized silicate dust? JM Guiu, AM Escatllar, ST Bromley ACS Earth and Space Chemistry 5 (4), 812-823, 2021 | 11 | 2021 |
Does processing or formation of water ice mantles affect the capacity of nanosilicates to be the source of anomalous microwave emission? J Mariñoso Guiu, S Ferrero, A Macià Escatllar, A Rimola, ST Bromley Frontiers in Astronomy and Space Sciences 8, 676548, 2021 | 4 | 2021 |
Computing Free Energies of Hydroxylated Silica Nanoclusters: Forcefield versus Density Functional Calculations A Macià Escatllar, P Ugliengo, ST Bromley Inorganics 5 (3), 41, 2017 | 4 | 2017 |
Computational Modelling of TiO2 and Mg-silicate nanoclusters and nanoparticles-Crystallinity and Astrophysical Implications A Macià Escatllar Universitat de Barcelona, 2020 | | 2020 |
Structure and Properties of Nanosilicates with Olivine (Mg₂Si2O₄) N and Pyroxene (MgSiO₃) N Compositions A Macià Escatlla, T Lazauskas, SM Woodley, ST Bromley ACS Earth and Space Chemistry, 2019 | | 2019 |
How to accurately model IR spectra of nanosized silicate grains JM Guiu, A Macià, ST Bromley Proceedings of the International Astronomical Union 15 (S350), 431-433, 2019 | | 2019 |
Stability or photoactivity? Properties of realistic TiO2 nanoparticles Á Morales-García, A Macià, ST Bromley, F Illasa INTERNATIONAL WORKSHOP, 52, 0 | | |