1.7k citations
- F. M. Peeters3 profiles32 · h 34
- N. H. March4 profiles16 · h 46
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- University of OxfordGB21 papers
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10 papers · 1 filter
The Role of Oxygen at the Interface between Titanium and Carbon Nanotubes
Alexandre Felten, Irene Suarez-Martinez, Xiaoxing Ke +6
We study the interface between carbon nanotubes (CNTs) and surface-deposited titanium using electron microscopy and photoemission spectroscopy, supported by density functional calc…
Theoretical study of the stable states of small carbon clusters Cn (n = 2-10)
D. P. Kosimov, A. A. Dzhurakhalov, F. M. Peeters
Both even- and odd-numbered neutral carbon clusters Cn (n = 2-10) are systematically studied using the energy minimization method and the modified Brenner potential for the carbon-…
Graphene: a perfect nanoballoon
O. Leenaerts, B. Partoens, F. M. Peeters
We have performed a first-principles density functional theory investigation of the penetration of helium atoms through a graphene monolayer with defects. The relaxation of the gra…
Orbital mixing and nesting in the bilayer manganites LaSrMnO
R. Saniz, M. R. Norman, A. J. Freeman
A first principles study of LaSrMnO compounds for doping levels shows that the low energy electronic structure of the majority spin ca…
Paramagnetic adsorbates on graphene: a charge transfer analysis
O. Leenaerts, B. Partoens, F. M. Peeters
We introduce a modified version of the Hirshfeld charge analysis method and demonstrate its accurateness by calculating the charge transfer between the paramagnetic molecule NO2 an…
Microstructure of precipitates and magnetic domain structure in an annealed Co38Ni33Al29 shape memory alloy
B. Bartova, N. Wiese, D. Schryvers +2
The microstructure of a CoNiAl FSMA was determined by conventional transmission electron microscopy, electron diffraction studies together with advanced microscopy techniques and i…