Michele Ceotto
University of Milan
107 Papers
362 Citations
Michele Ceotto is an academic researcher from University of Milan. The author has contributed to research in topics: Semiclassical physics & Anharmonicity. The author has an hindex of 29, co-authored 84 publications. Previous affiliations of Michele Ceotto include Sapienza University of Rome & University of California, Berkeley.
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Papers
Quantum instanton approximation for thermal rate constants of chemical reactions
TL;DR: In this article, a quantum Boltzmann operator for chemical reaction rates is presented, which is modeled after the [semiclassical (SC)] instanton approximation, and is able to describe thermal rate constants accurately (∼10−20% error) from high to low temperatures deep in the tunneling regime.
A Close Look at the Structure of the TiO2-APTES Interface in Hybrid Nanomaterials and Its Degradation Pathway: An Experimental and Theoretical Study
Daniela Meroni,Leonardo Lo Presti,Giovanni Di Liberto,Michele Ceotto,Robert G. Acres,Kevin C. Prince,Roberto Bellani,Guido Soliveri,Silvia Ardizzone +8 more
TL;DR: It is demonstrated that monomeric APTES chemisorption should proceed through covalent Si–O–Ti bonds, and the suitability of employing the silane as a linker with other chemical species is discussed in the context of controlled degradation of APTes monolayers for drug release and surface patterning.
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Electronic Structure of Pure and N-Doped TiO2 Nanocrystals by Electrochemical Experiments and First Principles Calculations
TL;DR: In this paper, the flatband potential of pure and nitrogen-doped titania nanocrystals was determined by impedance spectroscopy (Mott−Schottky plots) and the quasi-Fermi level by photovoltage measurements as a function of the suspension pH in the presence of an electrochemical probe.
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Semiclassical "Divide-and-Conquer" Method for Spectroscopic Calculations of High Dimensional Molecular Systems.
TL;DR: Results show that the new semiclassical "divide-and-conquer" method can accurately account for quantum anharmonicities, purely quantum features like overtones, and the removal of degeneracy when the molecular symmetry is broken.
Wettability of bare and fluorinated silanes: a combined approach based on surface free energy evaluations and dipole moment calculations.
Giuseppe Cappelletti,Silvia Ardizzone,Daniela Meroni,Guido Soliveri,Michele Ceotto,Cinzia Biaggi,Maurizio Benaglia,Laura Raimondi +7 more
- 01 Jan 2013
TL;DR: The interplay between theoretical and experimental approaches proves efficient in predicting the behavior of different systems and it could be employed in tuning the SFE of a solid surface with respect to its final applications.
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