W. Li, S. PoncÚ, and F. Giustino
Dimensional Crossover in the Carrier Mobility of Two-Dimensional Semiconductors: The Case of InSe
Nano Lett. 19, 1774-1781 (2019)

S. PoncÚ, M. Schlipf and F. Giustino
Origin of Low Carrier Mobilities in Halide Perovskites
ACS Energy Letters 4, 456 (2019)

G. Volonakis and F. Giustino
Interfaces Between Graphene‐Related Materials and MAPbI3: Insights from First‐Principles
Adv. Mater. Interfaces 1800496 (2018)

Reviewing Interfacial Engineering of Perovskite Solar Cells

Cover of the special section on "Interfacial engineering of perovskite solar cells for improved performance and stability". High-res cover

M. Schlipf, S. PoncÚ, and F. Giustino
Carrier lifetimes and polaronic mass enhancement in the hybrid halide perovskite CH3NH3PbI3 from multi-phonon Fr÷hlich coupling
Phys. Rev. Lett. 121, 086402 (2018)


Tier-0 PRACE DECI-15 Project
Charge Transport In Perovskite Solar Cells - CATNIP

PRACE DECI-14 Projects
1. Perovskite interfaces from first-principles - PerInt
2. First-principle Carrier Transport in semiconductors using EPW

ARCHER Leadership Project
Advanced Materials for Solar Energy Conversion - AMSEC


F. Giustino
Materials Modelling using Density Functional Theory