Zobrazeno 1 - 10
of 123
pro vyhledávání: '"Luca, Sementa"'
Publikováno v:
Physchem, Vol 4, Iss 1, Pp 43-60 (2024)
The surface configurations of the low-index facets of a set of spinel oxides are investigated using DFT+U calculations to derive surface energies and predict equilibrium nanoparticle shapes via the Wulff construction. Two very different conditions ar
Externí odkaz:
https://doaj.org/article/069fe228b0e3465eb741563e61c2dc60
Autor:
Daniele Toffoli, Marco Medves, Giovanna Fronzoni, Emanuele Coccia, Mauro Stener, Luca Sementa, Alessandro Fortunelli
Publikováno v:
Molecules, Vol 27, Iss 1, p 93 (2021)
We report a computational study at the time-dependent density functional theory (TDDFT) level of the chiro-optical spectra of chiral gold nanowires coupled in dimers. Our goal is to explore whether it is possible to overcome destructive interference
Externí odkaz:
https://doaj.org/article/a636d27a32a240e0912cdcfb3f7acbbc
Publikováno v:
Molecules, Vol 26, Iss 22, p 6961 (2021)
We report a computational study and analysis of the optical absorption processes of Ag20 and Au20 clusters deposited on the magnesium oxide (100) facet, both regular and including point defects. Ag20 and Au20 are taken as models of metal nanoparticle
Externí odkaz:
https://doaj.org/article/f6c4bd4dd3004ef6a2d1ba666b4afda6
Autor:
Mikhail Agrachev, Sabrina Antonello, Tiziano Dainese, Marco Ruzzi, Alfonso Zoleo, Edoardo Aprà, Niranjan Govind, Alessandro Fortunelli, Luca Sementa, Flavio Maran
Publikováno v:
ACS Omega, Vol 2, Iss 6, Pp 2607-2617 (2017)
Externí odkaz:
https://doaj.org/article/03ab5e1e3d06494cb3bb1a470215c55f
Autor:
Paola Bolognesi, Vincenzo Carravetta, Luca Sementa, Giovanni Barcaro, Susanna Monti, Preeti Manjari Mishra, Antonella Cartoni, Mattea C. Castrovilli, Jacopo Chiarinelli, Sanja Tosic, Bratislav P. Marinkovic, Robert Richter, Lorenzo Avaldi
Publikováno v:
Frontiers in Chemistry, Vol 7 (2019)
Tunability and selectivity of synchrotron radiation have been used to study the excitation and ionization of 2-nitroimidazole at the C, N, and O K-edges. The combination of a set of different measurements (X-ray photoelectron spectroscopy, near-edge
Externí odkaz:
https://doaj.org/article/260859d924524ffab3ed4cd039c6dc91
Publikováno v:
Advances in Physics: X, Vol 4, Iss 1 (2019)
The fast and continuous growth of multidisciplinary approaches, consisting of the combination of various experimental techniques and computational methods tuned on purpose to depict and predict material properties and performance, is motivated by the
Externí odkaz:
https://doaj.org/article/16f8a5cbbb8247849c3499a817e00ff4
We present a first-principles computational study of the NbS2/WSe2 junction between two transition metal dichalcogenide monolayers as a prototypical metal/semiconductor 2-dimensional (2D) lateral hetero-structure (LH) to investigate the effects of el
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c5fc681229662beecf209e70cc7aacfa
https://doi.org/10.26434/chemrxiv-2023-kx7wh
https://doi.org/10.26434/chemrxiv-2023-kx7wh
Autor:
Zhenyu Wang, Mukesh Tripathi, Zahra Golsanamlou, Poonam Kumari, Giuseppe Lovarelli, Fabrizio Mazziotti, Demetrio Logoteta, Gianluca Fiori, Luca Sementa, Guilherme Migliato Marega, Hyungoo Ji, Yanfei Zhao, Aleksandra Radenovic, Giuseppe Iannaccone, Alessandro Fortunelli, Andras Kis
Data Set forSubstitutional P-type Doping in NbS2-MoS2Lateral Heterostructures Grown by MOCVD. doi:10.1002/adma.202209371
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4be250a9283186bfd81a77f58b80f05a
Autor:
Zhenyu Wang, Mukesh Tripathi, Zahra Golsanamlou, Poonam Kumari, Giuseppe Lovarelli, Fabrizio Mazziotti, Demetrio Logoteta, Gianluca Fiori, Luca Sementa, Guilherme Migliato Marega, Hyun Goo Ji, Yanfei Zhao, Aleksandra Radenovic, Giuseppe Iannaccone, Alessandro Fortunelli, Andras Kis
Publikováno v:
Advanced Materials
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bdbb7b4124b5f47d9148c29011467f40
Autor:
Milan Rambukwella, Naga Arjun Sakthivel, Jared H. Delcamp, Luca Sementa, Alessandro Fortunelli, Amala Dass
Publikováno v:
Frontiers in Chemistry, Vol 6 (2018)
The nature of the ligands dictates the composition, molecular formulae, atomic structure and the physical properties of thiolate protected gold nanomolecules, Aun(SR)m. In this review, we describe the ligand effect for three classes of thiols namely,
Externí odkaz:
https://doaj.org/article/662fd01f160f40eaa5cf806ddfb29692