The employment of two-dimensional materials, as growth substrates or buffer layers, enables the epitaxial growth of layered materials with different crystalline symmetries with a preferential crystalline orientation and the synthesis of heterostructures with a large lattice constant mismatch. In this work, we employ single crystalline graphene to modify the sulfurization dynamics of copper foil for the deterministic synthesis of large-area Cu9S5crystals. Molecular dynamics simulations using the Reax force-field are used to mimic the sulfurization process of a series of different atomistic systems specifically built to understand the role of graphene during the sulphur atom attack over the Cu(111) surface. Cu9S5flakes show a flat morphology with an average lateral size of hundreds of micrometers. Cu9S5presents a direct band-gap of 2.5 eV evaluated with light absorption and light emission spectroscopies. Electrical characterization shows that the Cu9S5crystals present high p-type doping with a hole mobility of 2 cm2V−1s−1

Deterministic synthesis of Cu9S5flakes assisted by single-layer graphene arrays / Portone, A.; Bellucci, L.; Convertino, D.; Mezzadri, F.; Piccinini, G.; Giambra, M. A.; Miseikis, V.; Rossi, F.; Coletti, C.; Fabbri, F.. - In: NANOSCALE ADVANCES. - ISSN 2516-0230. - 3:5(2021), pp. 1352-1361. [10.1039/d0na00997k]

Deterministic synthesis of Cu9S5flakes assisted by single-layer graphene arrays

Bellucci L.;Mezzadri F.;Rossi F.;Fabbri F.
2021

Abstract

The employment of two-dimensional materials, as growth substrates or buffer layers, enables the epitaxial growth of layered materials with different crystalline symmetries with a preferential crystalline orientation and the synthesis of heterostructures with a large lattice constant mismatch. In this work, we employ single crystalline graphene to modify the sulfurization dynamics of copper foil for the deterministic synthesis of large-area Cu9S5crystals. Molecular dynamics simulations using the Reax force-field are used to mimic the sulfurization process of a series of different atomistic systems specifically built to understand the role of graphene during the sulphur atom attack over the Cu(111) surface. Cu9S5flakes show a flat morphology with an average lateral size of hundreds of micrometers. Cu9S5presents a direct band-gap of 2.5 eV evaluated with light absorption and light emission spectroscopies. Electrical characterization shows that the Cu9S5crystals present high p-type doping with a hole mobility of 2 cm2V−1s−1
Deterministic synthesis of Cu9S5flakes assisted by single-layer graphene arrays / Portone, A.; Bellucci, L.; Convertino, D.; Mezzadri, F.; Piccinini, G.; Giambra, M. A.; Miseikis, V.; Rossi, F.; Coletti, C.; Fabbri, F.. - In: NANOSCALE ADVANCES. - ISSN 2516-0230. - 3:5(2021), pp. 1352-1361. [10.1039/d0na00997k]
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11381/2890879
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