Di Liberto G - Search Results

1

Impact of quantum size effects to the band gap of catalytic materials: a computational perspective.

Inico E, Saetta C, Di Liberto G. Inico E, et al. Among authors: di liberto g. J Phys Condens Matter. 2024 Jun 13;36(36). doi: 10.1088/1361-648X/ad53b5. J Phys Condens Matter. 2024. PMID: 38830369

2

Quantum confinement in chalcogenides 2D nanostructures from first principles.

Das T, Di Liberto G, Pacchioni G. Das T, et al. Among authors: di liberto g. J Phys Condens Matter. 2022 Aug 3;34(40). doi: 10.1088/1361-648X/ac838b. J Phys Condens Matter. 2022. PMID: 35868296

3

Band offset in semiconductor heterojunctions.

Di Liberto G, Pacchioni G. Di Liberto G, et al. J Phys Condens Matter. 2021 Aug 5;33(41). doi: 10.1088/1361-648X/ac1620. J Phys Condens Matter. 2021. PMID: 34284370

4

Role of surface termination in forming type-II photocatalyst heterojunctions: the case of TiO₂/BiVO₄.

Di Liberto G, Tosoni S, Pacchioni G. Di Liberto G, et al. J Phys Condens Matter. 2021 Feb 17;33(7):075001. doi: 10.1088/1361-648X/abc357. J Phys Condens Matter. 2021. PMID: 33086209

5

Theoretical treatment of semiconductor heterojunctions for photocatalysis: the WO₃/BiVO₄ interface.

Di Liberto G, Tosoni S, Pacchioni G. Di Liberto G, et al. J Phys Condens Matter. 2019 Oct 30;31(43):434001. doi: 10.1088/1361-648X/ab2fa4. Epub 2019 Jul 8. J Phys Condens Matter. 2019. PMID: 31282386

6

Band Gap in Magnetic Insulators from a Charge Transition Level Approach.

Cipriano LA, Di Liberto G, Tosoni S, Pacchioni G. Cipriano LA, et al. Among authors: di liberto g. J Chem Theory Comput. 2020 Jun 9;16(6):3786-3798. doi: 10.1021/acs.jctc.0c00134. Epub 2020 May 29. J Chem Theory Comput. 2020. PMID: 32427487 Free PMC article.

7

Role of surface termination and quantum size in α-CsPbX₃ (X = Cl, Br, I) 2D nanostructures for solar light harvesting.

Di Liberto G, Fatale O, Pacchioni G. Di Liberto G, et al. Phys Chem Chem Phys. 2021 Feb 4;23(4):3031-3040. doi: 10.1039/d0cp06245f. Phys Chem Chem Phys. 2021. PMID: 33480898

8

Quantum confinement in group III-V semiconductor 2D nanostructures.

Cipriano LA , Di Liberto G , Tosoni S , Pacchioni G . Cipriano LA , et al. Among authors: di liberto g. Nanoscale. 2020 Sep 7;12(33):17494-17501. doi: 10.1039/d0nr03577g. Epub 2020 Aug 18. Nanoscale. 2020. PMID: 32808618

9

Band Gap of 3D Metal Oxides and Quasi-2D Materials from Hybrid Density Functional Theory: Are Dielectric-Dependent Functionals Superior?

Das T, Di Liberto G, Tosoni S, Pacchioni G. Das T, et al. Among authors: di liberto g. J Chem Theory Comput. 2019 Nov 12;15(11):6294-6312. doi: 10.1021/acs.jctc.9b00545. Epub 2019 Oct 29. J Chem Theory Comput. 2019. PMID: 31614082

10

Modeling Single-Atom Catalysis.

Di Liberto G, Pacchioni G. Di Liberto G, et al. Adv Mater. 2023 Nov;35(46):e2307150. doi: 10.1002/adma.202307150. Epub 2023 Sep 25. Adv Mater. 2023. PMID: 37749881

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