Publications

Book chapter: Toward the Computational Design of Pb-Free and Stable Hybrid Materials for Solar Cells. https://doi.org/10.1201/9781315152424-5 (2017)

19) F. El-Mellouhi, M. E. Madjet, G. R. Berdiyorov, E. T. Bentria, S. N. Rashkeev, S. Kais, A.Akande, C. Motta, S. Sanvito, F. H. Alharbia, "Enhancing the electronic dimensionality of hybrid organic–inorganic frameworks by hydrogen bonded molecular cations" Materials Horizons DOI: 10.1039/C8MH01436A(2019)

18) C. Motta, S. Sanvito, "Electron-phonon coupling and polaron mobility in hybrid perovskites from first-principles", J. Phys. Chem. C DOI: 10.1021/acs.jpcc.7b10163 (2017)

17) F. El-Mellouhi, A. Akande, C. Motta, S.N. Rashkeev, G. Berdiyorov, M.E. Madjet, A. Marzouk, E.T. Bentria, S. Sanvito, S. Kais and F.H. Alharbi, "Solar cells materials by design: Hybrid pyroxene corner-sharing VO 4 tetrahedral chains" ChemSusChem 10.1002/cssc.201700121 (2017)

16) J.-Y. Zheng, H. Xu, J.-J Wang, S. Winters, C. Motta, E. Karademir, W. Zhu, E. Varrla, G. Duesberg, S. Sanvito, W. Hu and J. Donegan "Vertical Single-Crystalline Organic Nanowires on Graphene: Solution-Phase Epitaxy and Optical Microcavities", Nano Letters, 16, 4754 (2016)

15) C. Motta, P. Mandal, S. Sanvito "Molecular dipole orientation effects on the exciton binding energy of CH3NH3PbI3", Phys. Rev. B 94, 045202 (2016)

14) C. Motta, F. El Mellouhi, S. Sanvito "Exploring the cation dynamics in lead-bromide hybrid perovskites" , Phys. Rev. B 93, 235412 (2016)

13) M O'Brien, N. McEvoy, C. Motta et. al. "Raman Characterization of Platinum Diselenide Thin Films" , 2D Materials 3, 021004 (2016)

12) S. Roychoudhury, C. Motta, S. Sanvito "Charge transfer energies of benzene physisorbed on a graphene sheet from constrained density functional theory" Phys. Rev. B 93, 045130 (2016)

11) C. Motta, F. El Mellouhi, S. Sanvito “Charge carrier mobility in hybrid halide perovskites”, Scientific Reports 5, 12746 (2015)

10) C. Motta, F. El Mellouhi, S. Kais, N. Tabet, F. Alharbi and S. Sanvito “Revealing the role of organic ligands in hybrid halide perovskites CH3NH3PbI3”, Nature Communications, 6, 7026 (2015)

9) C. Motta, S. Sanvito “Charge Transport Properties of Durene Crystals from First-Principles” J. Chem. Theory Comput. 10, 4624 (2014)

8) D. Murai, T. Nakazumi, S. Fujii, Y. Komoto, K. Tsukagoshi, C. Motta and M. Kiguchi “Highly stable Au atomic contacts covered with benzenedithiol under ambient conditions”, Phys. Chem. Chem. Phys. 16, 15662 (2014)

7) G. Fratesi, C. Motta, M. Trioni, G.P. Brivio, D.S. Portal, “Resonant lifetime of core-excited organic adsorbates from first principles”, J. Phys. Chem. C 118, 8775 (2014)

6) S. Kaneko, C. Motta, G.P. Brivio, M. Kiguchi, “Highly conductive pyrazine molecule junction showing bi-stable states”, Nanotechnology 24, 315201 (2013)

5) C. Motta, G. Fratesi, M.I. Trioni “Conductance calculation of H2 molecular junctions with Cu electrodes”, Phys. Rev. B, 87, 075415 (2013)

4) C. Motta, M.I. Trioni, D.S. Portal, “Transport properties of armchair graphene nanoribbon junctions between graphene electrodes”, Phys. Chem. Chem. Phys. 14, 10683, (2012)

3) C. Motta, M.I. Trioni, G.P. Brivio, K.L. Sebastian, “Conductance of a photochromic molecular switch with graphene leads”, Phys. Rev. B 84, 113408 (2011)

2) C. Motta, M. Giantomassi, M. Cazzaniga, K. Gaal-Nagy and X. Gonze, “Implementation of techniques for computing optical properties in 0–3 dimensions, including a real-space cutoff, in ABINIT”, Comput. Mat. Sci. 50, 698-703 (2010)

1) L. Ravagnan, N. Manini, E. Cinquanta, G. Onida, D. Sangalli, C. Motta et. al., “Effect of Axial Torsion on sp Carbon Atomic Wires”, Phys. Rev. Lett. 102, 245502 (2009)