2026-04-21T03:55:06Z https://archive.materialscloud.org/oai2d

oai:materialscloud.org:1601 2023-01-06T10:45:30Z openaire_data community-mcarchive

Bonacci, Miki Bonacci, Miki Molinari, Elisa Prezzi, Deborah 2023-01-06 Conversion of graphene into pure free-standing graphane — where each C atom is sp³ bound to a hydrogen atom — has not been achieved so far, in spite of numerous experimental attempts. Here, we obtain an unprecedented level of hydrogenation (~90% of sp³ bonds) by exposing fully free-standing nano porous samples — constituted by single to few veils of smoothly rippled graphene — to atomic hydrogen in ultra-high-vacuum. Such a controlled hydrogenation of high-quality and high-specific-area samples converts the original conductive graphene into a wide gap semiconductor, with the valence band maximum (VBM) ~3.5 eV below the Fermi level, as monitored by photoemission spectro-microscopy and confirmed by theoretical predictions. In fact, the calculated band structure unequivocally identifies the achievement of a stable, double-side fully hydrogenated configuration, with no trace of pi states and a gap opening in excellent agreement with the experimental results. application/gzip text/plain application/gzip application/json text/markdown https://doi.org/10.24435/materialscloud:j3-p0 oai:materialscloud.org:1601 mcid:2023.1 eng Materials Cloud https://doi.org/10.1021/acs.nanolett.2c00162 https://pubs.acs.org/doi/full/10.1021/acs.nanolett.2c00162 https://archive.materialscloud.org/communities/mcarchive https://doi.org/10.24435/materialscloud:bp-g3 info:eu-repo/semantics/openAccess Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode BIG-MAP GW approximation hydrogenated graphene MaX Yambo code first principles graphane density-functional theory nanoporous graphene spectromicroscopy Gap opening in double-sided highly hydrogenated free-standing graphene info:eu-repo/semantics/other