Blar i SINTEF Open på emneord "DFT calculations"

Viser treff 1-4 av 4

    • A highly asymmetric gold(III) η3‐allyl complex 

      Holmsen, Marte Sofie; Nova, Ainara; Øien-Ødegaard, Sigurd; Heyn, Richard H.; Tilset, Mats (Journal article; Peer reviewed, 2019)
      A highly asymmetric AuIII η3‐allyl complex has been generated by treating Au(η1‐allyl)Br(tpy) (tpy=2‐(p‐tolyl)pyridine) with AgNTf2. The resulting η3‐allyl complex has been characterized by NMR spectroscopy and X‐ray ...

    • Boron Removal from Silicon Melt by gas Blowing Technique 

      Hoseinpur Kermani, Arman; Andersson, Stefan; Müller, Michael; Tang, Kai; Safarian, Jafar (Peer reviewed; Journal article, 2022)
      Due to the detrimental effects of boron (B) on the efficiency of silicon (Si) photovoltaic cells, complete boron removal from Si is necessary to produce solar grade Si (SoG–Si, with a maximum limit of 0.1 ppmw boron). Gas ...

    • Precipitates in aluminium alloys 

      Andersen, Sigmund Jarle; Marioara, Calin Daniel; Friis, Jesper; Wenner, Sigurd; Holmestad, Randi (Peer reviewed; Journal article, 2018)
      Precipitation strengthening is a highly complex phenomenon on the nanoscale, responsible for providing strength in Al-Cu, Al-Mg-Cu, Al-Mg-Zn and Al-Mg-Si alloys. Advances in methodology, especially high-angle annular ...

    • Probing the structural evolution and its impact on magnetic properties of FeCoNi(AlMn)x high-entropy alloy at the nanoscale 

      Bazioti, Kalliopi; Løvvik, Ole Martin; Poulia, Anthoula; Almeida Carvalho, Patricia; S. Azar, Amin; Mikheenko, Pavlo; Diplas, Spyridon; Gunnæs, Anette Eleonora (Peer reviewed; Journal article, 2022)
      We report the first nanoscale investigation of FeCoNi(AlMn)x high-entropy alloys (HEAs) processed by laser metal deposition. The structural evolution of the alloy upon chemical composition variation (0.2 ≤ x ≤ 1.5) was ...