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Solphin: Photovoltaic efficiency analysis for bulk materials using Python
Philippa U Cox, Peter P Russell, Andrea Crovetto +3
In the development of photovoltaic materials, computational simulation has become a important tool for reducing the time and cost of exploring novel materials, as well as providing…
A modified Moss rule highlights underexplored classes of high refractive index materials
Eugène Bertin, Finja Tadge, Andrea Crovetto
High refractive index dielectrics are central to photonic applications, yet the empirical Moss rule imposes a fundamental trade-off between refractive index and optical transparenc…
Rapid estimation of synthesizability windows of inorganic materials from first principles
Finja Tadge, Javier Sanz Rodrigo, Andrea Crovetto
Fast prediction of the synthesizability conditions of materials remains challenging, even assuming synthesis under thermodynamic equilibrium. We combine density functional theory (…
A sulfonitride transparent conductive thin film with ultra-high refractive index
Eugène Bertin, Shima Kadkhodazadeh, José María Castillo-Robles +9
With the rise of AI-assisted materials screening, extraordinary properties are now frequently predicted in experimentally uncharted material systems, highlighting the need to devel…
AI-enhanced discovery and accelerated synthesis of metal phosphosulfides
Javier Sanz Rodrigo, Nicholas A. Kryger-Nelson, Lena A. Mittmann +3
Metal phosphosulfides have emerged as unique multifunctional materials, but they present unique synthesis challenges compared to more established material classes such as oxides an…
A figure-of-merit-based framework to evaluate photovoltaic materials
Andrea Crovetto
I propose a general quantitative framework to evaluate the quality, track the historical development, and guide future optimization of photovoltaic (PV) absorbers at any developmen…