Symmetry lowering by cage doping in spherical superatoms Evaluation of electronic and optical properties of 18-electron W@Au12Ptn (n=0-4) superatomic clusters from relativistic DFT calculations

Franck Gam; Ramiro Arratia-Perez; Samia Kahlal; Jean-Yves Saillard; Alvaro Munoz-Castro

doi:10.1002/qua.25827

Journal articles

Symmetry lowering by cage doping in spherical superatoms Evaluation of electronic and optical properties of 18-electron W@Au12Ptn (n=0-4) superatomic clusters from relativistic DFT calculations

Franck Gam ^{1, 2} Ramiro Arratia-Perez ² Samia Kahlal ¹ Jean-Yves Saillard ¹ Alvaro Munoz-Castro ³

1 ISCR - Institut des Sciences Chimiques de Rennes

2 Universidad Andrés Bello - UNAB (CHILE)

3 Universidad Autonoma de Chile

Keywords : superatoms platinum heteroatomic gold endohedral

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Journal articles

Domain :

Chemical Sciences

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https://hal-univ-rennes1.archives-ouvertes.fr/hal-02049510
Contributor : Laurent Jonchère <>
Submitted on : Tuesday, February 26, 2019 - 2:35:51 PM
Last modification on : Monday, January 27, 2020 - 9:40:41 AM

Symmetry lowering by cage doping in spherical superatoms Evaluation of electronic and optical properties of 18-electron W@Au12Ptn (n=0-4) superatomic clusters from relativistic DFT calculations

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Symmetry lowering by cage doping in spherical superatoms Evaluation of electronic and optical properties of 18-electron W@Au12Ptn (n=0-4) superatomic clusters from relativistic DFT calculations

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