F
Francesco Mauri
Researcher at Sapienza University of Rome
Publications - 369
Citations - 83302
Francesco Mauri is an academic researcher from Sapienza University of Rome. The author has contributed to research in topics: Phonon & Graphene. The author has an hindex of 85, co-authored 352 publications receiving 69332 citations. Previous affiliations of Francesco Mauri include University of Texas at Arlington & University of California, Berkeley.
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Anharmonic properties from a generalized third order ab~initio approach: theory and applications to graphite and graphene
TL;DR: In this paper, the authors implemented a generic method based on the $2n+1$ theorem within density functional perturbation theory to calculate the anharmonic scattering coefficients among three phonons with arbitrary wave vectors.
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Equilibrium isotopic fractionation in the kaolinite, quartz, water system: Prediction from first-principles density-functional theory
TL;DR: Isotopic fractionation factors for oxygen, hydrogen and silicon have been calculated using first-principles methods for the kaolinite, quartz, water (ice and gas water) system as mentioned in this paper.
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Variations in the work function of doped single- and few-layer graphene assessed by Kelvin probe force microscopy and density functional theory
Dominik Ziegler,Paola Gava,Johannes Güttinger,F. Molitor,Ludger Wirtz,Michele Lazzeri,Antonino Marco Saitta,Andreas Stemmer,Francesco Mauri,Christoph Stampfer,Christoph Stampfer +10 more
TL;DR: In this article, the authors compare the layer thickness dependency of the measured surface potential with ab initio density functional theory calculations of the work function for substrate-doped graphene and independently find an interlayer screening length in the order of four to five layers.
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Theoretical explanation of superconductivity in C6Ca.
Matteo Calandra,Francesco Mauri +1 more
TL;DR: Using density functional theory, it is demonstrated that superconductivity in C6Ca is phonon mediated with lambda = 0.83 and phonon frequency (omega)log = 24.7 meV.
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An Investigation of Weak CH···O Hydrogen Bonds in Maltose Anomers by a Combination of Calculation and Experimental Solid-State NMR Spectroscopy
Jonathan R. Yates,Tran N. Pham,Chris J. Pickard,Francesco Mauri,Ana M. Amado,and Ana M. Gil,Steven P. Brown +6 more
TL;DR: A clear correlation between a large chemical shift change and both a short H...O distance and a CHO bond angle greater than 130 degrees is observed, thus showing that directionality is important in C-H...O hydrogen bonding.