Insight at the atomic scale of corrosion inhibition: DFT study of 8-hydroxyquinoline on oxidized aluminum surfaces

F Chiter, D Costa, N Pébère, P Marcus… - Physical Chemistry …, 2023 - pubs.rsc.org
8-Hydroxyquinoline (8-HQ) is a promising organic molecule for the corrosion protection of
aluminum and its alloys in the replacement of chromate salts. On the aluminum surface, the …

Experimental and theoretical investigations of magnetic anisotropy and magnetic hardening at molecule/ferromagnet interfaces

K Bairagi, A Bellec, V Repain, C Fourmental, C Chacon… - Physical Review B, 2018 - APS
We measure by means of in situ magneto-optical Kerr effect the magnetism of ultrathin
magnetic films supported on gold and platinum during the cap** with molecular layers …

DFT studies of the bonding mechanism of 8-hydroxyquinoline and derivatives on the (111) aluminum surface

F Chiter, C Lacaze-Dufaure, H Tang… - Physical Chemistry …, 2015 - pubs.rsc.org
The 8-hydroxyquinoline (8-HQ) molecule is an efficient corrosion inhibitor for aluminum and
is also used in organic electronic devices. In this paper, the adsorption modes of 8-HQ and …

Adsorption of metal adatom on nanographene: computational investigations

H Dong, K Gilmore, B Lin, T Hou, ST Lee, Z Guo, Y Li - Carbon, 2015 - Elsevier
Recently synthesized nanographene, which is a discrete fragment of graphene, is
considered a new form of carbon. We perform density functional theory calculations on the …

Strong asymmetrical bias dependence of magnetoresistance in organic spin valves: the role of ferromagnetic/organic interfaces

SW Jiang, DJ Shu, L Lin, YJ Shi, J Shi… - New Journal of …, 2014 - iopscience.iop.org
We report a highly asymmetric magnetoresistance (MR) bias dependence, with the inverse
MR peaking at a negative bias and a sign reversal occurring at a positive bias in prototypical …

Interfacial antiferromagnetic coupling and high spin polarization in metallic phthalocyanines

J Tong, F Luo, L Ruan, G Liu, L Zhou, F Tian, G Qin… - Physical Review B, 2021 - APS
Exploration and understanding of the spinterface between magnetic electrodes and organic
semiconductors are vital to get an insight into interfacial science and develop spintronic …

Corrosion protection of Al (111) by 8-hydroxyquinoline: a comprehensive DFT study

F Chiter, ML Bonnet, C Lacaze-Dufaure… - Physical Chemistry …, 2018 - pubs.rsc.org
8-Hydroxyquinoline (8HQ) is a new green corrosion inhibitor. DFT-D calculations are
performed to investigate the adsorption of 8HQ and derivatives on the Al (111) surface from …

8-Hydroxyquinoline complexes (Alq3) on Al (111): atomic scale structure, energetics and charge distribution

Y Bulteau, N Tarrat, N Pébère… - New Journal of …, 2020 - pubs.rsc.org
8-Hydroxyquinoline (8Hq) is known to efficiently inhibit the corrosion of aluminium by
forming metal–organic layers (8Hq forms complexes with aluminium atoms). In the present …

Effectiveness of organic molecules for spin filtering in an organic spin valve: Reaction-induced spin polarization for Co atop

TN Lam, YL Lai, CH Chen, PH Chen, YL Chan, DH Wei… - Physical Review B, 2015 - APS
The spin polarization of organic-ferromagnetic interfaces in an organic spin valve critically
affects the efficiency of spin injection or detection. We examined the chemical and electronic …

Structural, electronic, and magnetic properties of tris (8-hydroxyquinoline) iron (III) molecules and their magnetic coupling with ferromagnetic surface: first-principles …

W Jiang, M Zhou, Z Liu, D Sun… - Journal of Physics …, 2016 - iopscience.iop.org
Using first-principles calculations, we have systematically investigated the structural,
electronic, and magnetic properties of facial (fac-) and meridional (mer-) tris (8 …