8 papers
Energy level alignment of vacancy-ordered halide double perovskites
Ibrahim Buba Garba, George Volonakis
Vacancy-ordered double perovskites have emerged as lead-free alternatives, offering remarkable stability and compositional tunability for optoelectronic applications. In this study…
Roadmap for electronic structure, anharmonicity, and electron-phonon calculations in locally disordered inorganic and hybrid halide perovskites
Marios Zacharias, George Volonakis, Laurent Pedesseau +3
The role of data in modern materials science becomes more valuable and accurate when effects such as electron-phonon coupling and anharmonicity are included, providing a more reali…
Electron-phonon couplings in polymorphous crystals
Marios Zacharias, George Volonakis, Laurent Pedesseau +3
Positional polymorphism in solids refers to locally disordered unit cells that, on average, reproduce the high-symmetry structures observed in diffraction experiments. Standard the…
Graphene-based technologies for energy applications, challenges and perspectives
Etienne Quesnel, Frédéric Roux, Fabrice Emieux +26
Here we report on technology developments implemented into the Graphene Flagship European project for the integration of graphene and graphene-related materials (GRMs) into energy…
Computational Screening and Discovery of Silver-Indium Halide Double Salts
Christos Tyrpenou, G. Krishnamurthy Grandhi, Paola Vivo +2
Perovskite-inspired materials have emerged as promising candidates for both outdoor and indoor photovoltaic applications owing to their favorable optoelectronic properties and redu…
Two-dimensional perovskites with maximum symmetry enable exciton diffusion length exceeding 2 micrometers
Jin Hou, Jared Fletcher, Siedah J. Hall +15
Realizing semiconductors with high symmetry of their crystallographic structures has been a virtue of inorganic materials and has resulted in novel physical behaviors. In contrast,…