The electric field gradient as a signature of the binding and the local structure of adatoms on graphene

Fenta, A. S.; Amorim, Carlos O.; Gonçalves, J. N.; Fortunato, Nuno M.; Barbosa, M. B.; Cottenier, Stefaan; Correia, J. G.; Pereira, L. M. C.; Amaral, V. S.

doi:10.1007/s00339-021-04722-3

Cited by 2 publications

(1 citation statement)

References 23 publications

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“…As this orientation is periodically influenced by the atomic environment of the probe nucleus through the hyperfine interaction, its (time-dependant) measurement reveals the electric field gradient and magnetic fields at the location of the incorporated PAC probe. This information can then be compared with ab initio calculations [14,15], providing important and local information about the crystalline symmetry and local defect structure of the sample studied.…”

Section: Perturbed Angular Correlation (Pac) Spectroscopymentioning

confidence: 99%

Introducing Ultra-Low Energy Ion Implantation of Radioactive Isotopes at ISOLDE, CERN for (Near-)Surface Characterization: The ASPIC and ASCII Vacuum Chambers

et al. 2022

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Solid-state physics research has long employed radioactive isotopes to investigate the crystallographic, electric and magnetic properties of nanostructures. Ion implantation (1–100 keV) is the method of choice for incorporating radioactive nuclei into the crystal structure. However, the enormous scientific interest in 2D materials, multiferroics and their interfaces of the last decades has lead to more stringent demands for isotope incorporation. Ultra-low energy (ULE) ion implantation (10–100 eV) provides the ability to precisely tune the depth of the implanted radioactive probes, even in the case of atomically thin 2D materials. To unlock this potential and expand the experimental capabilities of the ISOLDE collaboration in CERN, the apparatus for surface physics and interfaces at CERN (ASPIC), an experienced ultra-high vacuum chamber dedicated to surface characterization and modification, is refurbished and upgraded with a new component: the ASPIC’s ion implantation (ASCII) chamber, designed for ULE ion implantation of radioactive probes. This paper describes the scientific context, design and application of these vacuum chambers.

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Section: Perturbed Angular Correlation (Pac) Spectroscopymentioning

confidence: 99%

Introducing Ultra-Low Energy Ion Implantation of Radioactive Isotopes at ISOLDE, CERN for (Near-)Surface Characterization: The ASPIC and ASCII Vacuum Chambers

et al. 2022

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Formations of bimolecular barbituric acid complexes through hydrogen bonding interactions: DFT analyses of structural and electronic features

Hajali

Manesh

Seif

2022

MGC

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Formations of bimolecular barbituric acid (BA) complexes through hydrogen-bonding (HB) interactions were investigated in this work. BA has been known as a starting compound of pharmaceutical compounds developments, in which the molecular and atomic features of parent BA in homo-paring with another BA molecule were investigated here. The models were optimized to reach the stabilized structures and their properties were evaluated at the molecular and atomic scales. Density functional theory (DFT) calculations were performed to provide required information for achieving the goal of this work. Six dimer models were obtained finally according to examining all possible starting dimers configurations for involving in optimization calculations. N-H . . . O and C-H . . . O interactions were also involved in dimers formations besides participation of the X-center of parent BA in interaction. Molecular and atomic scales features were evaluated for characterizing the dimers formations. As a consequence, several configurations of BA dimers were obtained showing the importance of performing such structural analyses for developing further compounds from BA.

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The electric field gradient as a signature of the binding and the local structure of adatoms on graphene

Cited by 2 publications

References 23 publications

Introducing Ultra-Low Energy Ion Implantation of Radioactive Isotopes at ISOLDE, CERN for (Near-)Surface Characterization: The ASPIC and ASCII Vacuum Chambers

Introducing Ultra-Low Energy Ion Implantation of Radioactive Isotopes at ISOLDE, CERN for (Near-)Surface Characterization: The ASPIC and ASCII Vacuum Chambers

Formations of bimolecular barbituric acid complexes through hydrogen bonding interactions: DFT analyses of structural and electronic features

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