1. A high-throughput study of oxynitride, oxyfluoride and nitrofluoride perovskites. Issue 13 (10th March 2021) Authors: Wang, Hai-Chen; Schmidt, Jonathan; Botti, Silvana; Marques, Miguel A. L. Journal: Journal of materials chemistry Issue: Volume 9:Issue 13(2021) Page Start: 8501 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Absorption mechanism of dopamine/DOPAC-modified TiO2 nanoparticles by time-dependent density functional theory calculations. (March 2021) Authors: Ronchi, Costanza; Soria, Federico A.; Ferraro, Lorenzo; Botti, Silvana; Di Valentin, Cristiana Journal: Materials today energy Issue: Volume 19(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Bishop's hat silicene: a planar square silicon bilayer decorated with adatoms. Issue 31 (2nd August 2021) Authors: Borlido, Pedro; Marques, Miguel A. L.; Botti, Silvana Journal: Physical chemistry chemical physics Issue: Volume 23:Issue 31(2021) Page Start: 16942 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. ChemInform Abstract: Identification of Novel Cu, Ag, and Au Ternary Oxides from Global Structural Prediction. Issue 38 (3rd September 2015) Authors: Cerqueira, Tiago F. T.; Lin, Sun; Amsler, Maximilian; Goedecker, Stefan; Botti, Silvana; Marques, Miguel A. L. Journal: ChemInform Issue: Volume 46:Issue 38(2015) Page Start: no Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. ChemInform Abstract: Prediction and Synthesis of a Non‐Zintl Silicon Clathrate. Issue 34 (4th August 2016) Authors: Cerqueira, Tiago F. T.; Pailhes, Stephane; Debord, Regis; Giordano, Valentina M.; Viennois, Romain; Shi, Jingming; Botti, Silvana; Marques, Miguel A. L. Journal: ChemInform Issue: Volume 47:Issue 34(2016) Page Start: no Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. ChemInform Abstract: Prediction of Stable Nitride Perovskites. Issue 45 (November 2015) Authors: Sarmiento‐Perez, Rafael; Cerqueira, Tiago F. T.; Koerbel, Sabine; Botti, Silvana; Marques, Miguel A. L. Journal: ChemInform Issue: Volume 46:Issue 45(2015) Page Start: no Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Computational acceleration of prospective dopant discovery in cuprous iodide. Issue 35 (29th July 2019) Authors: Graužinytė, Miglė; Botti, Silvana; Marques, Miguel A. L.; Goedecker, Stefan; Flores-Livas, José A. Journal: Physical chemistry chemical physics Issue: Volume 21:Issue 35(2019) Page Start: 18839 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Double perovskites as p-type conducting transparent semiconductors: a high-throughput search. Issue 24 (4th June 2019) Authors: Wang, Hai-Chen; Pistor, Paul; Marques, Miguel A. L.; Botti, Silvana Journal: Journal of materials chemistry Issue: Volume 7:Issue 24(2019) Page Start: 14705 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Electronic Structure and Epitaxy of CdTe Shells on InSb Nanowires. Issue 12 (18th February 2022) Authors: Badawy, Ghada; Zhang, Bomin; Rauch, Tomáš; Momand, Jamo; Koelling, Sebastian; Jung, Jason; Gazibegovic, Sasa; Moutanabbir, Oussama; Kooi, Bart J.; Botti, Silvana; Verheijen, Marcel A.; Frolov, Sergey M.; Bakkers, Erik P. A. M. Journal: Advanced science Issue: Volume 9:Issue 12(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. From mesoscale to nanoscale mechanics in single-wall carbon nanotubes. (October 2017) Authors: Torres-Dias, Abraao C.; Cerqueira, Tiago F.T.; Cui, Wenwen; Marques, Miguel A.L.; Botti, Silvana; Machon, Denis; Hartmann, Markus A.; Sun, Yiwei; Dunstan, David J.; San-Miguel, Alfonso Journal: Carbon Issue: Volume 123(2017) Page Start: 145 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗