1. Analyzing the TiO2 surface reactivity based on oxygen vacancies computed by DFT and DFTB methods. (3rd August 2022) Authors: Çetin, Yarkın Aybars; Martorell, Benjamí; Serratosa, Francesc; Aguilera-Porta, Neus; Calatayud, Monica Journal: Journal of physics Issue: Volume 34:Number 31(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Can the environmental TEM confirm atomistic models of adsorbed molecules at surfaces of solids?. (August 2019) Authors: Bugnet, Matthieu; Pershukov, Ihor; Matz, Olivier; Calatayud, Monica; Epicier, Thierry Journal: Microscopy and microanalysis Issue: Volume 25:(2022)Supplement 2 Page Start: 1440 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Predicting size-dependent emergence of crystallinity in nanomaterials: titania nanoclusters versus nanocrystals. Issue 3 (3rd November 2016) Authors: Lamiel-Garcia, Oriol; Cuko, Andi; Calatayud, Monica; Illas, Francesc; Bromley, Stefan T. Journal: Nanoscale Issue: Volume 9:Issue 3(2017) Page Start: 1049 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Properties of hydrated TiO2 and SiO2 nanoclusters: dependence on size, temperature and water vapour pressure. Issue 45 (14th November 2018) Authors: Cuko, Andi; Macià Escatllar, Antoni; Calatayud, Monica; Bromley, Stefan T. Journal: Nanoscale Issue: Volume 10:Issue 45(2018) Page Start: 21518 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Stability of mixed-oxide titanosilicates: dependency on size and composition from nanocluster to bulk. Issue 2 (20th December 2017) Authors: Cuko, Andi; Calatayud, Monica; Bromley, Stefan T. Journal: Nanoscale Issue: Volume 10:Issue 2(2018) Page Start: 832 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Understanding iridium oxide nanoparticle surface sites by their interaction with catechol. Issue 24 (12th June 2017) Authors: Finkelstein-Shapiro, Daniel; Fournier, Maxime; Méndez-Hernández, Dalvin D.; Guo, Chengchen; Calatayud, Monica; Moore, Thomas A.; Moore, Ana L.; Gust, Devens; Yarger, Jeffery L. Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 24(2017) Page Start: 16151 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Understanding the Reactivity of Supported Late Transition Metals on a Bare Anatase (101) Surface: A Periodic Conceptual DFT Investigation. Issue 6 (7th December 2022) Authors: Deraet, Xavier; Turek, Jan; Alonso, Mercedes; Tielens, Frederik; Weckhuysen, Bert M.; Calatayud, Monica; De Proft, Frank Journal: Chemphyschem Issue: Volume 24:Issue 6(2023) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗