S. PoncÚ, D. Jena and F. Giustino
Route to High Hole Mobility in GaN via Reversal of Crystal-Field Splitting
Phys. Rev. Lett. 123, 096602 (2019).

S. PoncÚ, D. Jena and F. Giustino
Hole mobility of strained GaN from first principles
Phys. Rev. B 100, 085204 (2019).

W. H. Sio, C. Verdi, S. PoncÚ, and F. Giustino
Polarons from First Principles, without Supercells
Phys. Rev. Lett. 122, 246403 (2019).

W. H. Sio, C. Verdi, S. PoncÚ, and F. Giustino
Ab initio theory of polarons: Formalism and applications
Phys. Rev. B 99, 235139 (2019).

See also: Viewpoint in Physics by C. G. Van de Walle

G. Volonakis, N. Sakai, H. J. Snaith, and F. Giustino
Oxide Analogs of Halide Perovskites and the New Semiconductor Ba2AgIO6
J. Phys. Chem. Lett. 10 (8), 1722 (2019)

Cover of J. Phys. Chem. Lett. Vol 10 Issue 8
High-res cover

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


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