Search Results - "Datteo, Martina"

Catalysis under Cover: Enhanced Reactivity at the Interface between (Doped) Graphene and Anatase TiO2 by Ferrighi, Lara, Datteo, Martina, Fazio, Gianluca, Di Valentin, Cristiana

“…The “catalysis under cover” involves chemical processes which take place in the confined zone between a 2D material, such as graphene, h-BN, or MoS2, and the…”
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Boosting Graphene Reactivity with Oxygen by Boron Doping: Density Functional Theory Modeling of the Reaction Path by Ferrighi, Lara, Datteo, Martina, Di Valentin, Cristiana

“…Graphene (G) reactivity toward oxygen is very poor, which limits its use as electrode for the oxygen reduction reaction (ORR). Contrarily, boron-doped graphene…”
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Water on Graphene-Coated TiO2: Role of Atomic Vacancies by Datteo, Martina, Liu, Hongsheng, Di Valentin, Cristiana

“…Beyond two-dimensional (2D) materials, interfaces between 2D materials and underlying supports or 2D-coated metal or metal oxide nanoparticles exhibit…”
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Unraveling Dynamical and Light Effects on Functionalized Titanium Dioxide Nanoparticles for Bioconjugation by Ronchi, Costanza, Datteo, Martina, Kaviani, Moloud, Selli, Daniele, Di Valentin, Cristiana

“…Functionalizing nanoparticles (NPs) with biological molecules is a promising modern strategy in bionanotechnology to build up smart bioinorganic devices for…”
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Water on Graphene-Coated TiO 2 : Role of Atomic Vacancies by Datteo, Martina, Liu, Hongsheng, Di Valentin, Cristiana

“…Beyond two-dimensional (2D) materials, interfaces between 2D materials and underlying supports or 2D-coated metal or metal oxide nanoparticles exhibit…”
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π Magnetism of Carbon Monovacancy in Graphene by Hybrid Density Functional Calculations by Ronchi, Costanza, Datteo, Martina, Perilli, Daniele, Ferrighi, Lara, Fazio, Gianluca, Selli, Daniele, Di Valentin, Cristiana

“…Understanding magnetism in defective graphene is paramount to improve and broaden its technological applications. A single vacancy in graphene is expected to…”
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Catalysis under Cover: Enhanced Reactivity at the Interface between (Doped) Graphene and Anatase TiO 2 by Ferrighi, Lara, Datteo, Martina, Fazio, Gianluca, Di Valentin, Cristiana

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TETT-functionalized TiO2 nanoparticles for DOX loading: a quantum mechanical study at the atomic scale by Datteo, Martina, Ferraro, Lorenzo, Seifert, Gotthard, Di Valentin, Cristiana

“…In this work, we present a quantum mechanical investigation, based on the self-consistent charge density functional tight-binding (SCC-DFTB) method, of the…”
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TETT-functionalized TiO 2 nanoparticles for DOX loading: a quantum mechanical study at the atomic scale by Datteo, Martina, Ferraro, Lorenzo, Seifert, Gotthard, Di Valentin, Cristiana

“…In this work, we present a quantum mechanical investigation, based on the self-consistent charge density functional tight-binding (SCC-DFTB) method, of the…”
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TETT-functionalized TiO nanoparticles for DOX loading: a quantum mechanical study at the atomic scale by Datteo, Martina, Ferraro, Lorenzo, Seifert, Gotthard, Di Valentin, Cristiana

“…In this work, we present a quantum mechanical investigation, based on the self-consistent charge density functional tight-binding (SCC-DFTB) method, of the…”
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