1. AuCo nanoparticles: ordering, magnetisation, and morphology trends predicted by DFT. Issue 17 (20th April 2022) Authors: Farkaš, Barbara; de Leeuw, Nora H. Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 17(2022) Page Start: 10451 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Binding modes of carboxylic acids on cobalt nanoparticles. Issue 3 (12th December 2019) Authors: Farkaš, Barbara; Terranova, Umberto; de Leeuw, Nora H. Journal: Physical chemistry chemical physics Issue: Volume 22:Issue 3(2019) Page Start: 985 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Effect of coverage on the magnetic properties of –COOH, –SH, and –NH2 ligand-protected cobalt nanoparticles. Issue 27 (30th June 2021) Authors: Farkaš, Barbara; de Leeuw, Nora H. Journal: Nanoscale Issue: Volume 13:Issue 27(2021) Page Start: 11844 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. First-principles DFT insights into the structural, elastic, and optoelectronic properties of α and β-ZnP2: implications for photovoltaic applications. (15th April 2019) Authors: Živković, Aleksandar; Farkaš, Barbara; Uahengo, Veikko; de Leeuw, Nora H; Dzade, Nelson Y Journal: Journal of physics Issue: Volume 31:Number 26(2019) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Insights from density functional theory calculations into the effects of the adsorption and dissociation of water on the surface properties of zinc diphosphide (ZnP2) nanocrystals. Issue 46 (22nd November 2021) Authors: Farkaš, Barbara; Živković, Aleksandar; Uahengo, Veikko; Dzade, Nelson Y.; de Leeuw, Nora H. Journal: Physical chemistry chemical physics Issue: Volume 23:Issue 46(2021) Page Start: 26482 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. The mechanism underlying the functionalisation of cobalt nanoparticles by carboxylic acids: a first-principles computational study. Issue 24 (8th June 2021) Authors: Farkaš, Barbara; Terranova, Umberto; de Leeuw, Nora H. Journal: Journal of materials chemistry Issue: Volume 9:Issue 24(2021) Page Start: 4915 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗