@article{Volonakis2018b,

title = {Interfaces between graphene-related materials and MAPbI3: Insights from first-principles},

author = {George Volonakis and Feliciano Giustino},

doi = {10.1002/admi.201800496},

year  = {2018},

date = {2018-01-01},

journal = {Advanced Materials Interfaces},

volume = {5},

number = {22},

pages = {1800496},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Sutton2018,

title = {Cubic or orthorhombic? Revealing the crystal structure of metastable black-phase CsPbI3 by theory and experiment},

author = {Rebecca J Sutton and Marina R Filip and Amir A Haghighirad and Nobuya Sakai and Bernard Wenger and Feliciano Giustino and Henry J Snaith},

doi = {10.1021/acsenergylett.8b00672},

year  = {2018},

date = {2018-01-01},

journal = {ACS Energy Letters},

volume = {3},

number = {8},

pages = {1787-1794},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Zibouche2018,

title = {Graphene oxide/perovskite interfaces for photovoltaics},

author = {Nourdine Zibouche and George Volonakis and Feliciano Giustino},

doi = {10.1021/acs.jpcc.8b03230},

year  = {2018},

date = {2018-01-01},

journal = {The Journal of Physical Chemistry C},

volume = {122},

number = {29},

pages = {16715-16726},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Riley2018,

title = {Crossover from lattice to plasmonic polarons of a spin-polarised electron gas in ferromagnetic EuO},

author = {Jonathon M Riley and Frank Caruso and C Verdi and Liam B Duffy and Matthew D Watson and Lewis Bawden and Klara Volckaert and G van der Laan and Thorsten Hesjedal and Moritz Hoesch and Feliciano Giustino and Phil D C King},

doi = {10.1038/s41467-018-04749-w},

year  = {2018},

date = {2018-01-01},

journal = {Nature Communications},

volume = {9},

pages = {2305},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Volonakis2018b,

title = {Surface properties of lead-free halide double perovskites: Possible visible-light photo-catalysts for water splitting},

author = {George Volonakis and Feliciano Giustino},

doi = {10.1063/1.5035274},

year  = {2018},

date = {2018-01-01},

journal = {Applied Physics Letters},

volume = {112},

number = {24},

pages = {243901},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Dette2018,

title = {Atomic structure of water monolayer on anatase TiO2(101) surface},

author = {Christian Dette and Miguel A Pérez-Osorio and Shai Mangel and Feliciano Giustino and Soon Jung Jung and Klaus Kern},

doi = {10.1021/acs.jpcc.8b04210},

year  = {2018},

date = {2018-01-01},

journal = {The Journal of Physical Chemistry C},

volume = {122},

number = {22},

pages = {11954-11960},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Filip2018,

title = {The geometric blueprint of perovskites},

author = {Marina R Filip and Feliciano Giustino},

doi = {10.1073/pnas.1719179115},

issn = {0027-8424},

year  = {2018},

date = {2018-01-01},

journal = {Proceedings of the National Academy of Sciences},

volume = {115},

number = {21},

pages = {5397--5402},

publisher = {National Academy of Sciences},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Zhang2018,

title = {Universal scaling of intrinsic resistivity in two-dimensional metallic borophene},

author = {Jin Zhang and Jia Zhang and Liujiang Zhou and Cai Cheng and Chao Lian and Jian Liu and Sergei Tretiak and Johannes Lischner and Feliciano Giustino and Sheng Meng},

doi = {10.1002/anie.201800087},

year  = {2018},

date = {2018-01-01},

journal = {Angewandte Chemie International Edition},

volume = {57},

number = {17},

pages = {4585-4589},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Sit2017,

title = {High-efficiency fullerene solar cells enabled by a spontaneously formed mesostructured CuSCN-nanowire heterointerface},

author = {Wai-Yu Sit and Flurin D Eisner and Yen-Hung Lin and Yuliar Firdaus and Akmaral Seitkhan and Ahmed H Balawi and Frédéric Laquai and Claire H Burgess and Martyn A McLachlan and George Volonakis and Feliciano Giustino and Thomas D Anthopoulos},

doi = {10.1002/advs.201700980},

year  = {2018},

date = {2018-01-01},

journal = {Advanced Science},

volume = {5},

number = {4},

pages = {1700980},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Cao2018,

title = {Ab initio calculation of spin fluctuation spectra using time-dependent density functional perturbation theory, plane waves, and pseudopotentials},

author = {Kun Cao and Henry Lambert and Paolo G Radaelli and Feliciano Giustino},

doi = {10.1103/PhysRevB.97.024420},

year  = {2018},

date = {2018-01-01},

journal = {Physical Review B},

volume = {97},

pages = {024420},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Davies2018,

title = {Bimolecular recombination in methylammonium lead triiodide perovskite is an inverse absorption process},

author = {Christopher Davies and Marina Filip and Jay Patel and Timothy Crothers and Carla Verdi and Adam Wright and Rebecca Milot and Feliciano Giustino and Michael Johnston and Laura Herz},

doi = {10.1038/s41467-017-02670-2},

year  = {2018},

date = {2018-01-01},

journal = {Nature Communications},

volume = {9},

pages = {293},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Filip2018b,

title = {Phase diagrams and stability of lead-free halide double perovskites Cs2BB′X6: B = Sb and Bi, B′ = Cu, Ag, and Au, and X = Cl, Br, and I},

author = {Marina R Filip and Xinlei Liu and Anna Miglio and Geoffroy Hautier and Feliciano Giustino},

doi = {10.1021/acs.jpcc.7b10370},

year  = {2018},

date = {2018-01-01},

journal = {The Journal of Physical Chemistry C},

volume = {122},

number = {1},

pages = {158-170},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Giannozzi2017,

title = {Advanced capabilities for materials modelling with Quantum ESPRESSO},

author = {P Giannozzi and O Andreussi and T Brumme and O Bunau and Buongiorno M Nardelli and M Calandra and R Car and C Cavazzoni and D Ceresoli and M Cococcioni and N Colonna and I Carnimeo and Dal A Corso and S de Gironcoli and P Delugas and R A DiStasio and A Ferretti and A Floris and G Fratesi and G Fugallo and R Gebauer and U Gerstmann and F Giustino and T Gorni and J Jia and M Kawamura and H-Y Ko and A Kokalj and E Kü ç and M Lazzeri and M Marsili and N Marzari and F Mauri and N L Nguyen and H-V Nguyen and A Otero-de-la-Roza and L Paulatto and Ponc S é and D Rocca and R Sabatini and B Santra and M Schlipf and A P Seitsonen and A Smogunov and I Timrov and T Thonhauser and P Umari and N Vast and X Wu and S Baroni},

doi = {10.1088/1361-648x/aa8f79},

year  = {2017},

date = {2017-10-01},

journal = {Journal of Physics: Condensed Matter},

volume = {29},

number = {46},

pages = {465901},

publisher = {IOP Publishing},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Heil2017,

title = {Origin of superconductivity and latent charge density wave in NbS2},

author = {Christoph Heil and Samuel Poncé and Henry Lambert and Martin Schlipf and Elena R Margine and Feliciano Giustino},

doi = {10.1103/PhysRevLett.119.087003},

year  = {2017},

date = {2017-08-01},

journal = {Physical Review Letters},

volume = {119},

pages = {087003},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Caruso2017,

title = {Nonadiabatic Kohn anomaly in heavily boron-doped diamond},

author = {Fabio Caruso and Moritz Hoesch and Philipp Achatz and Jorge Serrano and Michael Krisch and Etienne Bustarret and Feliciano Giustino},

doi = {10.1103/PhysRevLett.119.017001},

year  = {2017},

date = {2017-07-01},

journal = {Physical Review Letters},

volume = {119},

pages = {017001},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Giustino2017,

title = {Electron-phonon interactions from first principles},

author = {Feliciano Giustino},

doi = {10.1103/RevModPhys.89.015003},

year  = {2017},

date = {2017-02-01},

journal = {Review of Modern Physics},

volume = {89},

pages = {015003},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Perez2017,

title = {Van der Waals onteractions and anharmonicity in the lattice vibrations, dielectric constants, effective charges, and infrared spectra of the organic-inorganic halide perovskite CH3NH3PbI3},

author = {Miguel A Pérez-Osorio and Aurélie Champagne and Marios Zacharias and Gian-Marco Rignanese and Feliciano Giustino},

doi = {10.1021/acs.jpcc.7b07121},

year  = {2017},

date = {2017-01-01},

journal = {The Journal of Physical Chemistry C},

volume = {121},

number = {34},

pages = {18459-18471},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Volonakis2017,

title = {Route to stable kead-free double perovskites with the electronic structure of CH3NH3PbI3: A case for mixed-cation [Cs/CH3NH3/CH(NH2)2]2InBiBr6},

author = {George Volonakis and Amir Abbas Haghighirad and Henry J Snaith and Feliciano Giustino},

doi = {10.1021/acs.jpclett.7b01584},

year  = {2017},

date = {2017-01-01},

journal = {The Journal of Physical Chemistry Letters},

volume = {8},

number = {16},

pages = {3917-3924},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Verdi2017,

title = {Origin of the crossover from polarons to Fermi liquids in transition metal oxides},

author = {Carla Verdi and Fabio Caruso and Feliciano Giustino},

doi = {10.1038/ncomms15769},

year  = {2017},

date = {2017-01-01},

journal = {Nature Communications},

volume = {8},

pages = {15769},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Sakai2017,

title = {Solution-processed cesium hexabromopalladate(IV), Cs2PdBr6, for optoelectronic applications},

author = {Nobuya Sakai and Amir Abbas Haghighirad and Marina R Filip and Pabitra K Nayak and Simantini Nayak and Alexandra Ramadan and Zhiping Wang and Feliciano Giustino and Henry J Snaith},

doi = {10.1021/jacs.6b13258},

year  = {2017},

date = {2017-01-01},

journal = {Journal of the American Chemical Society},

volume = {139},

number = {17},

pages = {6030-6033},

keywords = {},

pubstate = {published},

tppubtype = {article}

}