116 citations · 249 across the 14 of their papers we have counts for
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Boosting Perovskite Solar Cell Stability: Dual Protection with Ultrathin Plasma Polymer Passivation Layers
Mahmoud Nabil, Lidia Contreras-Bernal, Gloria P. Moreno-Martinez +8
Metal halide perovskite solar cells (MHPSCs) hold great promise related to their high efficiency and low fabrication costs, but their long-term stability under environmental condit…
NiOx passivation in perovskite solar cells: from surface reactivity to device performance
John Mohanraj, Bipasa Samanta, Osbel Almora +8
Non-stoichiometric nickel oxide (NiOx) is the only metal oxide successfully used as hole transport material in p-i-n type perovskite solar cells (PSCs). Its favorable opto-electron…
Ultrathin plasma polymer passivation of perovskite solar cells for improved stability and reproducibility
Jose M. Obrero-Perez, Lidia Contreras-Bernal+, Fernando Nunez-Galvez +7
Despite the youthfulness of hybrid halide perovskite solar cells, their efficiencies are currently comparable to commercial silicon and have surpassed quantum-dots solar cells. Yet…
Transferable classical force field for pure and mixed metal halide perovskites parameterized from first principles
Juan Antonio Seijas-Bellido, Bipasa Samanta, Karen Valadez-Villalobos +8
Many key features in photovoltaic perovskites occur in relatively long time scales and involve mixed compositions. This requires realistic but also numerically simple models. In th…
Efficient Modelling of Ion Structure and Dynamics in Inorganic Metal Halide Perovskites
Salvador Rodriguez-Gomez Balestra, Jose Manuel Vicent-Luna, Sofia Calero +2
Metal halide perovskites (MHPs) are nowadays one of the most studied semiconductors due to their exceptional performance as active layers in solar cells. Although MHPs are excellen…
Combining quantum and classical density functional theory for ion-electron mixtures
A. A. Louis, H. Xu, J. A. Anta
We combine techniques from quantum and from classical density functional theory (DFT) to describe electron-ion mixtures. For homogeneous systems, we show how to calculate ion-ion a…
Probing Ion-Ion and Electron-Ion Correlations in Liquid Metals within the Quantum Hypernetted Chain Approximation
J. A. Anta, A. A. Louis
We use the Quantum Hypernetted Chain Approximation (QHNC) to calculate the ion-ion and electron-ion correlations for liquid metallic Li, Be, Na, Mg, Al, K, Ca, and Ga. We discuss t…