Gilles Frapper
Affiliations: | CNRS, IC2MP |
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| Pitié S, Wang B, Guégan F, et al. (2024) Predicted High-Energy Density MN Containing Anionic 18-Crown-6 Ring-Based Polynitrogen Monolayers Acting as Cryptand. Inorganic Chemistry. 63: 7293-7302 |
| Amaki E, Mahdavifar Z, Frapper G. (2023) Prediction of novel semi-conducting two-dimensional MX phosphides and chalcogenides (M = Zn, Cd; X = P, S, Se) with 5-membered rings. Physical Chemistry Chemical Physics : Pccp. 25: 29506-29515 |
| Wang B, Hilleke KP, Hajinazar S, et al. (2023) Structurally Constrained Evolutionary Algorithm for the Discovery and Design of Metastable Phases. Journal of Chemical Theory and Computation |
| Zhang H, Wang J, Guégan F, et al. (2023) First-principles structure prediction of two-dimensional HCN polymorphs obtained formal molecular polymerization. Nanoscale |
| Zhang H, Wang J, Guégan F, et al. (2021) Prediction of allotropes of tellurium with molecular, one- and two-dimensional covalent nets for photofunctional applications. Rsc Advances. 11: 29965-29975 |
| Zhang H, Wang J, Khazaei M, et al. (2021) Phase diagram exploration of Tc-Al-B: from bulk TcAlB to two-dimensional TcB. Physical Chemistry Chemical Physics : Pccp. 23: 22086-22095 |
| Sasaki S, Caldes MT, Guillot-Deudon C, et al. (2021) Design of metastable oxychalcogenide phases by topochemical (de)intercalation of sulfur in LaOS. Nature Communications. 12: 3605 |
| Okadome Valencia H, Wang B, Frapper G, et al. (2021) New developments in the GDIS simulation package: Integration of VASP and USPEX. Journal of Computational Chemistry |
| Shojaei F, Azizi M, Mahdavifar Z, et al. (2020) Copper halide diselenium: predicted two-dimensional materials with ultrahigh anisotropic carrier mobilities. Rsc Advances. 10: 8016-8026 |
| Wang B, Braems I, Sasaki S, et al. (2020) Prediction of a New Layered Polymorph of FeS with FeS(S) Structure. The Journal of Physical Chemistry Letters. 8861-8866 |