Näytetään aineistoja, joilla on samankaltainen nimeke tai asiasanat.

• Growth of two-dimensional Au patches in graphene pores : a density-functional study 

  Antikainen, Saku (2016)

  Grafeenin löytämisen myötä kaksiulotteisten (2D) materiaalien tutkimus on edennyt huomattavasti viimeisen vuosikymmenen aikana. Myös 2D-metalleja on tutkittu, ja esimerkiksi atominpaksuinen rautakerros on onnistuttu ...

• Spectral analysis and quantum chaos in two-dimensional nanostructures 

  Luukko, Perttu (University of Jyväskylä, 2015)

  This thesis describes a study into the eigenvalues and eigenstates of twodimensional (2D) quantum systems. The research is summarized in four scientific publications by the author. The underlying motivation for this work ...

• Growth of two-dimensional Au patches in graphene pores: A density-functional study 

  Antikainen, Saku; Koskinen, Pekka (Elsevier, 2017)

  Inspired by recent studies of various two-dimensional (2D) metals such as Au, Fe and Ag, we study the growth of two-dimensional gold patches in graphene pores by density-functional theory. We find that at room temperature ...

• Computational modelling of boron nitride nanostructures based on density-functional tight-binding 

  Nokelainen, Johannes (2014)

  Boorinitridin (BN) nanorakenteet ovat sekä rakenteellisesti että lujuusominaisuuksiensa puolesta hyvin samankaltaisia vastaavien hiilirakenteiden kanssa. Suurimpana erona on BN:n sähköinen eristävyys kun taas hiilirakenteet ...

• A Self-Consistent Charge Density-Functional Tight-Binding Parameterization for Pt-Ru Alloys 

  Shi, Hongbo; Koskinen, Pekka; Ramasubramaniam, Ashwin (American Chemical Society, 2017)

  We present a self-consistent charge density-functional tight-binding (SCC-DFTB) parametrization for PtRu alloys, which is developed by employing a training set of alloy cluster energies and forces obtained from Kohn–Sham ...