Blue phosphorene on Au(111): theoretical, spectroscopic and diffraction analysis reveal the role of single Au adatoms.

Autor:	Del Puppo S; Department of Physics, University of Trieste Via Valerio 2 34127 Trieste Italy peressi@units.it., Biasin P; Department of Physics, University of Trieste Via Valerio 2 34127 Trieste Italy peressi@units.it., Sala A; CNR - Istituto Officina dei Materiali (IOM) S.S. 14 km 163.5 in AREA Science Park 34129 Trieste Italy sala@iom.cnr.it verdini@iom.cnr.it., Mantegazza P; Department of Physics, University of Trieste Via Valerio 2 34127 Trieste Italy peressi@units.it., Pasqua I; Department of Physics, University of Trieste Via Valerio 2 34127 Trieste Italy peressi@units.it., Ghidorsi E; Department of Physics, University of Trieste Via Valerio 2 34127 Trieste Italy peressi@units.it., Caporali M; CNR-ICCOM Via Madonna del Piano 10, 50019 Sesto Fiorentino Italy., Resta A; Synchrotron SOLEIL L'Orme des Merisiers, Départementale 128, 91190 Saint-Aubin France., Coati A; Synchrotron SOLEIL L'Orme des Merisiers, Départementale 128, 91190 Saint-Aubin France., Genuzio F; Elettra Sincrotrone Trieste S.S. 14 km 163.5 in AREA Science Park 34129 Trieste Italy., Menteş TO; Elettra Sincrotrone Trieste S.S. 14 km 163.5 in AREA Science Park 34129 Trieste Italy., Locatelli A; Elettra Sincrotrone Trieste S.S. 14 km 163.5 in AREA Science Park 34129 Trieste Italy., Comelli G; Department of Physics, University of Trieste Via Valerio 2 34127 Trieste Italy peressi@units.it.; CNR - Istituto Officina dei Materiali (IOM) S.S. 14 km 163.5 in AREA Science Park 34129 Trieste Italy sala@iom.cnr.it verdini@iom.cnr.it., Africh C; CNR - Istituto Officina dei Materiali (IOM) S.S. 14 km 163.5 in AREA Science Park 34129 Trieste Italy sala@iom.cnr.it verdini@iom.cnr.it., Vesselli E; Department of Physics, University of Trieste Via Valerio 2 34127 Trieste Italy peressi@units.it.; CNR - Istituto Officina dei Materiali (IOM) S.S. 14 km 163.5 in AREA Science Park 34129 Trieste Italy sala@iom.cnr.it verdini@iom.cnr.it., Peressi M; Department of Physics, University of Trieste Via Valerio 2 34127 Trieste Italy peressi@units.it., Verdini A; CNR - Istituto Officina dei Materiali (IOM) S.S. 14 km 163.5 in AREA Science Park 34129 Trieste Italy sala@iom.cnr.it verdini@iom.cnr.it.
Jazyk:	angličtina
Zdroj:	Nanoscale advances [Nanoscale Adv] 2024 May 21; Vol. 6 (14), pp. 3582-3589. Date of Electronic Publication: 2024 May 21 (Print Publication: 2024).
DOI:	10.1039/d4na00192c
Abstrakt:	In investigating the monoatomic layers of P, several stable two-dimensional (2D) allotropes have been theoretically predicted. Among them, single-layer blue phosphorus (BlueP) appears to deliver promising properties. After initial success, where the structure of BlueP triangular patches on Au(111) was conceived on the basis of scanning tunneling microscopy (STM) and density functional theory (DFT), the surface structure model was revisited multiple times with increasing accuracy and insight of theoretical calculations and experimental datasets. Interestingly, the quest for a reliable atomic structure model of BlueP on Au(111) turned out to be very contentious and challenging, particularly considering the possible incorporation of Au atoms in the 2D sheet of P. This article proposes an extended report on theoretical findings that can be extracted from DFT calculations of the orbital projected band structure and employed for an efficient comparison protocol between the calculations and experimental datasets obtained from angle-resolved photoemission spectroscopy (ARPES). The findings, together with experimental and simulated data from STM imaging and surface X-ray diffraction (SXRD), show a clear way to verify the presence and characterize the stabilizing effect of foreign atoms in 2D materials. Competing Interests: There are no conflicts to declare. (This journal is © The Royal Society of Chemistry.)
Databáze:	MEDLINE
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