Now showing items 1-20 of 110

    • A first-principles Study of epitaxial Interfaces between Graphene and GaAs 

      Marthinsen, Astrid (Master thesis, 2014)
      Epitaxial interfaces between graphene and GaAs(111) have been investigated through a first-principles study using density functional theory (DFT). The GaAs(111) surface at the interface is assumed to be 2x2 reconstructed ...
    • A new material for oxygen-permeable membranes 

      Adnan, Mohammed Mostafa (Master thesis, 2017)
      In this study, hexagonal YMnO3 doped with 15% Ti was used in the preparation of an asymmetric oxygen permeable membrane. Several different methods for the fabrication of the asymmetric membrane have been used, and the ...
    • A van der Waals Density Functional Study of MoO3 and Its Oxygen Vacancies 

      Inzani, Katherine; Grande, Tor; Vullum-Bruer, Fride; Selbach, Sverre Magnus (Journal article; Peer reviewed, 2016)
      The electronic structure of layered molybdenum trioxide MoO3 is highly sensitive to changes in oxygen stoichiometry as Mo6+ has an empty 4d shell. Applications of MoO3 are responsive to small changes in vacancy concentration, ...
    • Application of a long short-term memory for deconvoluting conductance contributions at charged ferroelectric domain walls 

      Holstad, Theodor Secanell; Ræder, Trygve Magnus; Evans, Donald; Småbråten, Didrik Rene; Krohns, Stephan; Schaab, Jakob; Yan, Zewu; Bourret, Edith; Helvoort, Antonius T. J. van; Grande, Tor; Selbach, Sverre Magnus; Agar, Joshua; Meier, Dennis Gerhard (Peer reviewed; Journal article, 2020)
      Ferroelectric domain walls are promising quasi-2D structures that can be leveraged for miniaturization of electronics components and new mechanisms to control electronic signals at the nanoscale. Despite the significant ...
    • Are MXenes Suitable as Cathode Material for Rechargeable Mg Batteries? 

      Kaland, Henning; Hadler-Jacobsen, Jacob; Fagerli, Frode Håskjold; Wagner, Nils Peter; Wang, Zhaohui; Selbach, Sverre Magnus; Vullum-Bruer, Fride; Wiik, Kjell; Schnell, Sondre Kvalvåg (Peer reviewed; Journal article, 2020)
      MXenes, a type of two-dimensional transition metal carbide/nitride, have received significant attention for electrochemical storage applications. With substantial capacities predicted for Mg ions, MXenes have been considered ...
    • Atomic origins of dendrite formation on alkali and earthalkali metal surfaces 

      Røe, Ingeborg Treu (Doctoral theses at NTNU;2021:313, Doctoral thesis, 2021)
      "The Li-ion rechargeable battery has been paramount in the on-going transition from a fossil- to a renewable energy-based society, but the state-of-the art Li-ion battery with a graphite anode is approaching its limit with ...
    • Atomic-scale 3D imaging of individual dopant atoms in an oxide semiconductor 

      Hunnestad, Kasper Aas; Hatzoglou, Constantinos; Zeeshan, Muhammad; Vullum, Per Erik; Yan, Zewu; Bourret, Edith; Van Helvoort, Antonius; Selbach, Sverre Magnus; Meier, Dennis (Peer reviewed; Journal article, 2022)
      The physical properties of semiconductors are controlled by chemical doping. In oxide semiconductors, small variations in the density of dopant atoms can completely change the local electric and magnetic responses caused ...
    • Bi vacancy formation in BiFeO3 epitaxial thin films under compressive (001)-strain from first principles 

      Xia, Lu; Tybell, Thomas; Selbach, Sverre Magnus (Peer reviewed; Journal article, 2019)
      Point defects in BiFeO3 affect both structural and functional properties. To elucidate the role of single Bi vacancies and Bi–O vacancy pairs we investigate their stability and effect on structural and ferroelectric ...
    • Bulk substitution of F-terminations from Ti3C2Tx MXene by cation pillaring and gas hydrolysation 

      Fagerli, Frode Håskjold; Vullum, Per Erik; Grande, Tor; Wang, Zhaohui; Selbach, Sverre Magnus; Wiik, Kjell; Wagner, Nils Peter (Journal article, 2023)
      Applications of 2D MXenes are limited by the difficulty of controlling bulk termination groups after the initial HF etching step without forming surface oxides. Here, we report on gas hydrolysation using a continuous flow ...
    • Charge Transport in Water-NaCl Electrolytes with Molecular Dynamics Simulations 

      Gullbrekken, Øystein; Røe, Ingeborg Treu; Selbach, Sverre Magnus; Schnell, Sondre Kvalvåg (Peer reviewed; Journal article, 2023)
      A systematic description of microscopic mechanisms is necessary to understand mass transport in solid and liquid electrolytes. From Molecular Dynamics (MD) simulations, transport properties can be computed and provide a ...
    • Charged domain walls in improper ferroelectric hexagonal manganites and gallates 

      Småbråten, Didrik Rene; Meier, Quintin Noel; Skjærvø, Sandra Helen; Inzani, Katherine; Meier, Dennis; Selbach, Sverre Magnus (Journal article; Peer reviewed, 2018)
      Ferroelectric domain walls are attracting broad attention as atomic-scale switches, diodes and mobile wires for next-generation nanoelectronics. Charged domain walls in improper ferroelectrics are particularly interesting ...
    • Chemical expansion due to hydration of proton conducting perovskite oxide ceramics 

      Andersson, Annika KE; Selbach, Sverre Magnus; Knee, CS; Grande, Tor (Journal article; Peer reviewed, 2014)
      The crystal structures of proton conducting BaZr1-xYxO3-x/2 (BZY05-BZY20) and BaCe0.8Y0.2O2.9 (BCY20) during hydration/dehydration has been studied by in situ high temperature X-ray diffraction and thermal analysis. A ...
    • Composition and morphology tuning during hydrothermal synthesis of SrxBa1−xNb2O6 tetragonal tungsten bronzes studied by in situ X-ray diffraction 

      Grendal, Ola Gjønnes; Blichfeld, Anders Bank; Vu, Tuong-Dan; van Beek, Wouter; Selbach, Sverre Magnus; Grande, Tor; Einarsrud, Mari-Ann (Journal article; Peer reviewed, 2019)
      Current interest in 1D ferroelectric materials calls for cheap, controllable, reproducible and environmentally friendly synthesis routes. Hydrothermal synthesis stands out as one of the most promising routes, but a thorough ...
    • Computational Prediction and Characterisation of Novel Li-ion Solid Electrolytes based on Earth Abundant LiSiNO 

      Viki, Vegard Vesterdal (Master thesis, 2022)
      "All solid-state-batterier" (ASSB) basert på faststoff elektrolytter (SSE) er en lovende løsning på de nåværende sikkerhetsproblemene som moderne batteriteknologi står ovenfor. LiSiNO-strukturen har tidligere vist seg ...
    • Conductivity control via minimally invasive anti-Frenkel defects in a functional oxide 

      Evans, Donald; Holstad, Theodor Secanell; Mosberg, Aleksander Buseth; Småbråten, Didrik Rene; Vullum, Per Erik; Dadlani, Anup; Shapovalov, Konstantin; Yan, Zewu; Bourret, Edith; Gao, David Zhe; Akola, Jaakko; Torgersen, Jan; Van Helvoort, Antonius; Selbach, Sverre Magnus; Meier, Dennis (Peer reviewed; Journal article, 2020)
      Utilizing quantum effects in complex oxides, such as magnetism, multiferroicity and superconductivity, requires atomic-level control of the material’s structure and composition. In contrast, the continuous conductivity ...
    • Confinement-Driven Inverse Domain Scaling in Polycrystalline ErMnO3 

      Schultheiss, Jan; Xue, Fei; Roede, Erik Dobloug; Ånes, Håkon Wiik; Danmo, Frida Hemstad; Selbach, Sverre Magnus; Chen, Long-Qing; Meier, Dennis (Peer reviewed; Journal article, 2022)
      The research on topological phenomena in ferroelectric materials has revolutionized the way people understand polar order. Intriguing examples are polar skyrmions, vortex/anti-vortex structures, and ferroelectric ...
    • Controlled growth of SrxBa1-xNb2O6 hopper- and cube-shaped nanostructures by hydrothermal synthesis 

      Grendal, Ola Gjønnes; Nylund, Inger-Emma; Blichfeld, Anders Bank; Tominaka, Satoshi; Ohara, Koji; Selbach, Sverre Magnus; Grande, Tor; Einarsrud, Mari-Ann (Journal article; Peer reviewed, 2020)
      Controlling the shape and size of nanostructured materials has been a topic of interest in the field of material science for decades. In this work, the ferroelectric material SrxBa1-xNb2O6 (x = 0.32–0.82, SBN) was prepared ...
    • Controlled Growth of SrxBa1−xNb2O6 Hopper‐ and Cube‐Shaped Nanostructures by Hydrothermal Synthesis 

      Grendal, Ola Gjønnes; Nylund, Inger-Emma; Blichfeld, Anders Bank; Tominaka, Satoshi; Ohara, Koji; Selbach, Sverre Magnus; Grande, Tor; Einarsrud, Mari-Ann (Peer reviewed; Journal article, 2020)
      Controlling the shape and size of nanostructured materials has been a topic of interest in the field of material science for decades. In this work, the ferroelectric material SrxBa1−xNb2O6 (x=0.32–0.82, SBN) was prepared ...
    • Controlling Oriented Attachment and in Situ Functionalization of TiO2 Nanoparticles During Hydrothermal Synthesis with APTES 

      Dalod, Antoine Robert Marie; Grendal, Ola Gjønnes; Skjærvø, Susanne Linn; Inzani, Katherine; Selbach, Sverre Magnus; Henriksen, Lars; van Beek, Wouter; Grande, Tor; Einarsrud, Mari-Ann (Journal article; Peer reviewed, 2017)
      Understanding growth mechanisms and the role of surface functionalization is of key importance to control shape and morphology of nanoparticles and their properties. Here, we describe the growth mechanism and the effect ...
    • Coupling and competition between ferroelectricity, magnetism, strain, and oxygen vacancies in AMnO3 perovskites 

      Marthinsen, Astrid; Faber, Carina; Aschauer, Ulrich; Spaldin, Nicola A.; Selbach, Sverre Magnus (Journal article; Peer reviewed, 2016)
      We use first-principles calculations based on density functional theory to investigate the interplay between oxygen vacancies, A-site cation size/tolerance factor, epitaxial strain, ferroelectricity, and magnetism in the ...