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  • 1.
    Carvalho, Alexandra T.G.
    et al.
    Department of Physics, I3N, University of Aveiro, Campus Santiago.
    Öberg, Sven
    Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Matematiska vetenskaper.
    Rayson, Mark
    Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Matematiska vetenskaper.
    Briddon, Patrick R.
    School of Electrical, Electronic and Computer Engineering, University of Newcastle upon Tyne.
    Electronic and optical properties of chlorinated silicon nanoparticles2013Ingår i: Journal of Nanoscience and Nanotechnology, ISSN 1533-4880, E-ISSN 1533-4899, Vol. 13, nr 2, s. 1039-1042Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    First-principles calculations are used to investigate the structure, electronic and optical properties of silicon nanocystals with chlorine-passivated surface. The nanocrystals considered were approximately spherical, with diameters between 1.5 and 3.0 nm. We show that the nanocrystals with chlorinated surface have a smaller bandgap, lower optical absorption threshold, and greater ionization energy and electron affinity than hydrogenated silicon nanocrystals of the same size

  • 2.
    Carvalho, Alexandra T.G.
    et al.
    Department of Physics, I3N, University of Aveiro, Campus Santiago.
    Öberg, Sven
    Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Matematiska vetenskaper.
    Rayson, Mark
    Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Matematiska vetenskaper.
    Briddon, Patrick R.
    School of Electrical, Electronic and Computer Engineering, University of Newcastle upon Tyne.
    Increased electronic coupling in silicon nanocrystal networks doped with F4-TCNQ2013Ingår i: Journal of Nanoscience and Nanotechnology, ISSN 1533-4880, E-ISSN 1533-4899, Vol. 13, nr 2, s. 1035-1038Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    The modification of the electronic structure of silicon nanocrystals using an organic dopant, 2,3,5,6- tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F 4-TCNQ), is investigated using first-principles calculations. It is shown that physisorbed F4-TCNQ molecules have the effect of oxidizing the nanocrystal, attracting the charge density towards the F 4-TCNQ-nanocrystal interface, and decreasing the excitation energy of the system. In periodic F4-TCNQ/nanocrystal superlattices, F 4-TCNQ is suggested to enhance exciton separation, and in the presence of free holes, to serve as a bridge for electron/hole transfer between adjacent nanocrystals.

  • 3.
    Coelho, Margarida
    et al.
    Department of Mechanical Engineering, University of Aveiro.
    Torrao, Guilhermina
    Department of Mechanical Engineering, University of Aveiro.
    Emami, Nazanin
    Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Maskinelement.
    Gracio, Jose
    Department of Mechanical Engineering, University of Aveiro.
    Nanotechnology in automotive industry: research strategy and trends for the future – small objects, big impacts2012Ingår i: Journal of Nanoscience and Nanotechnology, ISSN 1533-4880, E-ISSN 1533-4899, Vol. 12, nr 8, s. 6621-6630Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    The goal of this paper is to emphasize and present briefly the nanotechnology science and its potential impact on the automotive industry in order to improve the production of recent models with an optimization of the safety performance and a reduction in the environmental impacts. Nanomaterials can be applied in car bodies as light weight constructions without compromising the stiffness and crashwortiness, which means less material and less fuel consumption. This paper outlines the progress of nanotechnology applications into the safety features of more recent vehicle models and fuel efficiency, but also emphasis the importance of sustainable development on the application of these technologies and life cycle analysis of the considered materials, in order to meet the society trends and customers demands to improve ecology, safety and comfort.

  • 4.
    Pinto, Helder M.
    et al.
    College of Engineering, Mathematics and Physical Sciences, University of Exeter.
    Palmer, Derek W.
    College of Engineering, Mathematics and Physical Sciences, University of Exeter.
    Jones, R.
    College of Engineering, Mathematics and Physical Sciences, University of Exeter.
    Goss, Jonathan P.G.
    School of Electrical, Electronic and Computer Engineering, University of Newcastle upon Tyne.
    Briddon, Patrick R.
    School of Electrical, Electronic and Computer Engineering, University of Newcastle upon Tyne.
    Öberg, Sven
    Luleå tekniska universitet, Institutionen för teknikvetenskap och matematik, Matematiska vetenskaper.
    Ab initio studies of fluorine passivation on the electronic structure of the NV- defect in nanodiamond2012Ingår i: Journal of Nanoscience and Nanotechnology, ISSN 1533-4880, E-ISSN 1533-4899, Vol. 12, nr 11, s. 8589-8593Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    We have investigated using density functional theory the effect of fluorine termination of a (001) diamond surface on the electronic energy levels of an NV- centre buried beneath the surface. We find that, like OH termination, fluorine passivates the surface and reduces the influence of the surface on the electronic properties of the NV- centre. The results have significance for the optical properties of NV- defects in nanodiamonds

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