Advanced capabilities for materials modelling with Quantum ESPRESSO P Giannozzi, O Andreussi, T Brumme, O Bunau, MB Nardelli, M Calandra, ... Journal of physics: Condensed matter 29 (46), 465901, 2017 | 6939 | 2017 |
Perovskite-perovskite tandem photovoltaics with optimized band gaps GE Eperon, T Leijtens, KA Bush, R Prasanna, T Green, JTW Wang, ... Science 354 (6314), 861-865, 2016 | 1380 | 2016 |
Electron-phonon interactions from first principles F Giustino Reviews of Modern Physics 89 (1), 015003, 2017 | 1305 | 2017 |
Electron–phonon coupling in hybrid lead halide perovskites AD Wright, C Verdi, RL Milot, GE Eperon, MA Pérez-Osorio, HJ Snaith, ... Nature communications 7 (1), 11755, 2016 | 1169 | 2016 |
EPW: Electron–phonon coupling, transport and superconducting properties using maximally localized Wannier functions S Poncé, ER Margine, C Verdi, F Giustino Computer Physics Communications 209, 116-133, 2016 | 1049 | 2016 |
Steric engineering of metal-halide perovskites with tunable optical band gaps MR Filip, GE Eperon, HJ Snaith, F Giustino Nature Communications 5, 5757, 2014 | 993 | 2014 |
Toward Lead-free Perovskite Solar Cells F Giustino, HJ Snaith ACS Energy Letters 1, 1233-1240, 2016 | 984 | 2016 |
Lead-free halide double perovskites via heterovalent substitution of noble metals G Volonakis, MR Filip, AA Haghighirad, N Sakai, B Wenger, HJ Snaith, ... The journal of physical chemistry letters 7 (7), 1254-1259, 2016 | 916 | 2016 |
Cs2InAgCl6: A new lead-free halide double perovskite with direct band gap G Volonakis, AA Haghighirad, RL Milot, WH Sio, MR Filip, B Wenger, ... Journal of Physical Chemistry Letters 8 (4), 772-778, 2017 | 896 | 2017 |
Electron-phonon interaction using Wannier functions F Giustino, ML Cohen, SG Louie Physical Review B—Condensed Matter and Materials Physics 76 (16), 165108, 2007 | 856 | 2007 |
TiO2 Anatase with a Bandgap in the Visible Region C Dette, MA Pérez-Osorio, CS Kley, P Punke, CE Patrick, P Jacobson, ... Nano letters 14 (11), 6533-6538, 2014 | 697 | 2014 |
Band Gaps of the Lead-Free Halide Double Perovskites Cs2BiAgCl6 and Cs2BiAgBr6 from Theory and Experiment MR Filip, S Hillman, AA Haghighirad, HJ Snaith, F Giustino The journal of physical chemistry letters 7 (13), 2579-2585, 2016 | 632 | 2016 |
Cubic or Orthorhombic? Revealing the Crystal Structure of Metastable Black-Phase CsPbI3 by Theory and Experiment RJ Sutton, MR Filip, AA Haghighirad, N Sakai, B Wenger, F Giustino, ... ACS Energy Letters 3 (8), 1787-1794, 2018 | 531 | 2018 |
Oxygen redox chemistry without excess alkali-metal ions in Na2/3[Mg0.28Mn0.72]O2 U Maitra, RA House, JW Somerville, N Tapia-Ruiz, JG Lozano, N Guerrini, ... Nature chemistry 10 (3), 288-295, 2018 | 491 | 2018 |
Materials modelling using density functional theory: properties and predictions F Giustino Oxford University Press, 2014 | 465 | 2014 |
EPW: A program for calculating the electron–phonon coupling using maximally localized Wannier functions J Noffsinger, F Giustino, BD Malone, CH Park, SG Louie, ML Cohen Computer Physics Communications 181 (12), 2140-2148, 2010 | 421 | 2010 |
Dislocation-Driven Deformations in Graphene JH Warner, ER Margine, M Mukai, AW Robertson, F Giustino, AI Kirkland Science 337 (6091), 209-212, 2012 | 420 | 2012 |
Vibrational Properties of the Organic–Inorganic Halide Perovskite CH3NH3PbI3 from Theory and Experiment: Factor Group Analysis, First-Principles Calculations … MA Pérez-Osorio, RL Milot, MR Filip, JB Patel, LM Herz, MB Johnston, ... The Journal of Physical Chemistry C 119 (46), 25703-25718, 2015 | 341 | 2015 |
Bimolecular recombination in methylammonium lead triiodide perovskite is an inverse absorption process CL Davies, MR Filip, JB Patel, TW Crothers, C Verdi, AD Wright, RL Milot, ... Nature communications 9 (1), 293, 2018 | 335 | 2018 |
Confinement effects in low-dimensional lead iodide perovskite hybrids ME Kamminga, HH Fang, MR Filip, F Giustino, J Baas, GR Blake, MA Loi, ... Chemistry of materials 28 (13), 4554-4562, 2016 | 321 | 2016 |