Insight at the atomic scale of corrosion inhibition: DFT study of 8-hydroxyquinoline on oxidized aluminum surfaces
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 …
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
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 …
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 …
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
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 …
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 …
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
Exploration and understanding of the spinterface between magnetic electrodes and organic
semiconductors are vital to get an insight into interfacial science and develop spintronic …
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 …
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
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 …
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 …
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 …
Using first-principles calculations, we have systematically investigated the structural,
electronic, and magnetic properties of facial (fac-) and meridional (mer-) tris (8 …
electronic, and magnetic properties of facial (fac-) and meridional (mer-) tris (8 …