Zobrazeno 1 - 10
of 45
pro vyhledávání: '"Louise Stauffer"'
Publikováno v:
Structural Chemistry. 31:1935-1943
We present a theoretical study of two different zinc phthalocyanine molecules, the 2-aminoethoxy-ZnPc (ZnPc-NH) and ZnPc-Lys molecules, covalently anchored on a graphene nanoflake to increase the stability of the system. By means of density functiona
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d35103d28fc48edf2f3185b9f7191e02
https://doi.org/10.1007/s11224-020-01551-7
https://doi.org/10.1007/s11224-020-01551-7
Publikováno v:
ACS Applied Materials & Interfaces
ACS Applied Materials & Interfaces, Washington, D.C. : American Chemical Society, 2017, 9 (43), pp.37554-37562
ACS Applied Materials & Interfaces, Washington, D.C. : American Chemical Society, 2017, 9 (43), pp.37554-37562
International audience; We propose a new approach to improving photodynamic therapy (PDT) by transporting zinc phthalocyanine (ZnPc) in biological systems via a graphene nanoflake, to increase its targeting. Indeed, by means of time-dependent density
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c3aca629d5eead8c7685784c56ab2a3e
https://hal.science/hal-02140326
https://hal.science/hal-02140326
Publikováno v:
Surface Science. 606:1195-1202
Density functional theory (DFT) calculations are used to investigate the stability on SiC(0001) surfaces of different chemical groups -NH 2 , -NO 2 , -CH 3 , -OH, -SH and -CN. The adsorption stability decreases in the order -NO 2 > − OH > − NH 2
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::508e2c3f7c33c70d50ea902a229a5ab9
https://doi.org/10.1016/j.susc.2012.03.022
https://doi.org/10.1016/j.susc.2012.03.022
Autor:
André Gourdon, Andrew J. Mayne, Heejun Yang, Young Kuk, Geneviève Comtet, Gérald Dujardin, Samuthira Nagarajan, Ph-H. Sonnet, Louise Stauffer, O. Boudrioua
Publikováno v:
Phys. Chem. Chem. Phys.. 14:1700-1705
Controlling the intrinsic optical and electronic properties of a single molecule adsorbed on a surface requires electronic decoupling of some molecular orbitals from the surface states. Scanning tunneling microscopy experiments and density functional
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9f95f358ef7f25325ee0347128ea4de0
https://doi.org/10.1039/c2cp23104b
https://doi.org/10.1039/c2cp23104b
Autor:
Philippe Sonnet, Louise Stauffer
Publikováno v:
Progress in Surface Science. 81:444-487
Due to its importance in Si-based devices, carbon incorporation in a silicon matrix has become an object of intensive research. However, the size difference between carbon and silicon makes this incorporation difficult, and only small amounts of carb
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::254ac9dd5851c1d2e1ff2c2247c140b7
https://doi.org/10.1016/j.progsurf.2006.07.003
https://doi.org/10.1016/j.progsurf.2006.07.003
Publikováno v:
Surface Science. 577:15-21
We present an ab initio study of methanol interaction with the Si(1 1 1)7 × 7 surface using a Si(1 1 1)4 × 2 model. The study of the methanol dissociation on Si(1 1 1)4 × 2 shows that pair dissociation on adatom–restatom dangling bonds is largel
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5e568cd0a91186a33aae4fd5219ed90e
https://doi.org/10.1016/j.susc.2004.12.010
https://doi.org/10.1016/j.susc.2004.12.010
Publikováno v:
Surface Science. :53-57
We have studied the initial stages of Ni adsorption on Pt(1 1 1). Using the tight-binding direct-configurational-averaging method we calculate various ordering interactions. These parameters are used in turn in Monte Carlo simulations to elucidate th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::06e037ded92a199b6f4722f97314d6c7
https://doi.org/10.1016/s0039-6028(03)00228-0
https://doi.org/10.1016/s0039-6028(03)00228-0
Autor:
Philippe Sonnet, Amandine Bellec, Gérald Dujardin, Laurent Chaput, Louise Stauffer, Damien Riedel
Publikováno v:
Physical Review B: Condensed Matter and Materials Physics (1998-2015)
Physical Review B: Condensed Matter and Materials Physics (1998-2015), American Physical Society, 2013, 88 (24), ⟨10.1103/PhysRevB.88.241406⟩
Physical Review B : Condensed matter and materials physics
Physical Review B : Condensed matter and materials physics, American Physical Society, 2013, 88 (24), ⟨10.1103/PhysRevB.88.241406⟩
Physical Review B: Condensed Matter and Materials Physics (1998-2015), American Physical Society, 2013, 88 (24), ⟨10.1103/PhysRevB.88.241406⟩
Physical Review B : Condensed matter and materials physics
Physical Review B : Condensed matter and materials physics, American Physical Society, 2013, 88 (24), ⟨10.1103/PhysRevB.88.241406⟩
Équipe 102 : Surfaces et Spectroscopies; International audience; The ultimate miniaturization of electronic devices at the atomic scale with single electrons requires controlling the reversible charge storage in a single atom. However, reversible ch
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eae4de47959fc24850213ee94982ce74
https://hal.archives-ouvertes.fr/hal-01273664
https://hal.archives-ouvertes.fr/hal-01273664
Publikováno v:
Journal of Physics: Condensed Matter. 12:7005-7012
The stability of Ir domains on Ir(111) is investigated theoretically by computing the relevant interaction energies. The study is based on a representation of the total energy in terms of a generalized Ising model containing effective cluster interac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::61876828f01828360bedde7f2794460f
https://doi.org/10.1088/0953-8984/12/31/302
https://doi.org/10.1088/0953-8984/12/31/302
Publikováno v:
Physical Review B. 56:12454-12461
The ground-state energy of the negatively charged exciton in a semiconductor quantum well is calculated assuming finite band offsets in a two-band model within the envelope-function approximation with isotropic electron and hole masses. A variational
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::82945abc1585ea2ea0b47748b6f7606b
https://doi.org/10.1103/physrevb.56.12454
https://doi.org/10.1103/physrevb.56.12454