Gilles Frapper

20PUBLICATIONS
29CO-AUTHORS
Solid state chemistryCondensed matter modelling and density functional theoryCrystallographyCompound semiconductorsMetal organic frameworks
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Publications (20)

|Jul 07, 2026
Theoretical Structure Prediction and High-Pressure Synthesis of a Layered Sodium Silicide Zintl Phase: Na<sub>2</sub>Si<sub>3</sub>.

|Aug 11, 2025
Predicting the Crystal Structures and Properties of Lithium-Carbon-Nitrogen Phases under Pressure.

Zhennan Zhang, Wangyu Hu, Sylvain Pitié

|Jul 16, 2025
Prediction of novel gallium-sulfur compositions under pressure.

Reza Shahsavari, Sylvain Pitié, Somayeh Faraji

|Feb 19, 2025
Theoretical design of 2D <i>Pca</i>2<sub>1</sub> SiNOX (X = H, F, and Cl) phases: a new family of flexible wide bandgap semiconductors.

Heng Zhang, Jiahao Yu, Sylvain Pitié

|May 08, 2024
Rational design of 2D Janus <i>P</i>3<i>m</i>1 M<sub>2</sub>N<sub>3</sub> (M = Cu, Zr, and Hf) and their surface-functionalized derivatives: ferromagnetic, piezoelectric, and photocatalytic properties.

Heng Zhang, Frédéric Guégan, Junjie Wang

|Apr 12, 2024
Predicted High-Energy Density MN<sub>8</sub> Containing Anionic 18-Crown-6 Ring-Based Polynitrogen Monolayers Acting as Cryptand.

Sylvain Pitié, Busheng Wang, Frédéric Guégan

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Frequent Collaborators

11 joint publications

Frédéric Guégan

5 joint publications

Junjie Wang

3 joint publications

Busheng Wang

3 joint publications

Heng Zhang