• Crystal Structure Influences Migration along Li and Mg Surfaces 

      Røe, Ingeborg Treu; Selbach, Sverre Magnus; Schnell, Sondre Kvalvåg (Peer reviewed; Journal article, 2020)
      Dendrite formation on Li metal anodes hinders commercialization of more energy-dense rechargeable batteries. Here, we use the migration energy barrier (MEB) for surface transport as a descriptor for dendrite nucleation and ...
    • Defect chemistry and ferroelectric domain walls in hexagonal manganites 

      Småbråten, Didrik René (Doctoral theses at NTNU;2018:263, Doctoral thesis, 2018)
      The hexagonal manganites h-RMnO3 (R=Y, In, Sc, Ho-Lu) have been studied the last two decades for their exotic and diverse functional properties. Their large chemical flexibility makes this material class an ideal chemical ...
    • Defect Chemistry as a Crystal Structure Design Parameter: Intrinsic Point Defects and Ga Substitution in InMnO3 

      Griffin, Sinead M; Reidulff, Mari; Selbach, Sverre Magnus; Spaldin, Nicola A (Journal article, 2017)
      The effect of defect chemistry on the polar and nonpolar phases of hexagonal InMnO3 is investigated using first-principles density functional calculations. Our motivation is to show how point defects and substitutional ...
    • Defect Engineering in Plasmonic Metal Oxide Nanocrystals 

      Runnerstom, Evan J; Bergerud, Amy; Agrawal, Ankit; Johns, Robert W.; Dahlman, Clayton J.; Singh, Ajay; Selbach, Sverre Magnus; Milliron, Delia J. (Journal article; Peer reviewed, 2016)
      Defects may tend to make crystals interesting but they do not always improve performance. In doped metal oxide nanocrystals with localized surface plasmon resonance (LSPR), aliovalent dopants and oxygen vacancies act as ...
    • Defect-Enhanced Polarization Switching in the Improper Ferroelectric LuFeO3 

      Barrozo, Petrucio; Småbråten, Didrik Rene; Tang, Yun-Long; Prasad, Bhagwati; Saremi, Sahar; Ozgur, Rustem; Thakare, Vishal; Steinhardt, Rachel A.; Holtz, Megan, E.; Stoica, Vladimir Alexandru; Martin, Lane W.; Schlom, Darrel G.; Selbach, Sverre Magnus; Ramesh, Ramamoorthy (Peer reviewed; Journal article, 2020)
      Results of switching behavior of the improper ferroelectric LuFeO3 are presented. Using a model set of films prepared under controlled chemical and growth‐rate conditions, it is shown that defects can reduce the quasi‐static ...
    • Development of a mixed-conducting layered oxide for asymmetric oxygen permeable membranes 

      Danmo, Frida Paulsen (Master thesis, 2018)
      Over 100 million tons of pure oxygen gas are produced each year, making it one of the most used chemicals worldwide. As the conventional production process, cryogenic distillation, is very energy demanding, a new, cheaper ...
    • Development of a new class of layered hexagonal oxide-ion electrolytes 

      Yusuf, Iman (Master thesis, 2022)
      Oxide ion conductors have drawn significant attention for their applications as electrolytes in solid oxide fuel cells (SOFCs). Materials that exhibit high oxide ion conductivity are needed to reduce the operating ...
    • Development of a new class of oxygen ion mixed conductors. 

      Frydenlund, Madelen Mørk (Master thesis, 2014)
      Dense ceramic membranes with mixed ionic and electronic conductivity can separate 100 % pure oxygen from air at elevated temperature. They constitute a much cheaper and more environmentally friendly alternative to cryogenic ...
    • Development of An Asymmetrical Membrane for Oxygen Exchange and Production 

      Kielland, Sigmund Sørensen (Master thesis, 2019)
      Hvert år produseres over 100 millioner tonn ren oksygengass, der mesteparten produseres ved frysedestillering. Denne formen for oksygenproduksjon krever mye tilført energi, og den er derfor ikke godt egnet til å dekke den ...
    • Development of an asymmetrical oxygen permeable membrane based on hexagonal manganites 

      Hoggen, Stine Marie (Master thesis, 2016)
      Pure oxygen is a commodity chemical needed in many industries. Separation of oxygen from air is usually performed by the expensive and highly energy-demanding process of cryogenic distillation. A promising and more ...
    • Development of hexagonal manganites for use in oxygen permeable membranes 

      Nesdal, Silje Kathrin (Master thesis, 2013)
      Mixed ionic-electronic conducting membranes can provide a cheaper and more environmental friendly alternative to cryogenic distillation for production of 100 % pure oxygen. However, most of today's state-of-the-art materials ...
    • Development of Rare Earth Metal Iron Oxides as Mixed Ionic and Electronic Conductors 

      Blom, Christine (Master thesis, 2014)
      In recent years there has been an increasing interest in finding a new and less energy demanding alternative to cryogenic distillation in the production of pure oxygen gas. The use of oxygen permeable membranes has been ...
    • Diffusion of alkali metals in the first stage graphite intercalation compounds by vdW-DFT calculations 

      Wang, Zhaohui; Ratvik, Arne Petter; Grande, Tor; Selbach, Sverre Magnus (Journal article; Peer reviewed, 2015)
      Diffusion of alkali metal cations in the first stage graphite intercalation compounds (GIC) LiC6, NaC6, NaC8 and KC8 has been investigated with density functional theory (DFT) calculations using the optPBE-vdW van der Waals ...
    • Direct observation of ferroelectric field effect and vacancy-controlled screening at the BiFeO3/LaxSr1−xMnO3 interface 

      Kim, Young-Min; Morozovska, Anna; Eliseev, Eugene; Oxley, Mark P.; Mishra, Rohan; Selbach, Sverre Magnus; Grande, Tor; Pantelides, S. T.; Kalinin, Sergei V.; Borisevich, Albina Y. (Journal article, 2014)
      The development of interface-based magnetoelectric devices necessitates an understanding of polarization-mediated electronic phenomena and atomistic polarization screening mechanisms. In this work, the LSMO/BFO interface ...
    • Domain wall mobility and roughening in doped ferroelectric hexagonal manganites 

      Småbråten, Didrik Rene; Holstad, Theodor Secanell; Evans, Donald; Zewu, Yan; Bourret, Edith; Meier, Dennis; Selbach, Sverre Magnus (Peer reviewed; Journal article, 2020)
      The macroscopic performance of ferroelectric and piezoelectric devices depends strongly on domain wall dynamics. It is clear that structural defects, such as vacancies, interstitials, and dopants codetermine the dynamics, ...
    • Electrical half-wave rectification at ferroelectric domain walls 

      Schaab, Jakob; Skjærvø, Sandra Helen; Krohns, Stephan; Dai, Xiaoyu; Holtz, Megan, E.; Cano, Andrés; Lilienblum, Martin; Yan, Zewu; Bourret, Edith; Muller, David A.; Fiebig, Manfred; Selbach, Sverre Magnus; Meier, Dennis (Journal article; Peer reviewed, 2018)
      Domain walls in ferroelectric semiconductors show promise as multifunctional two-dimensional elements for next-generation nanotechnology. Electric fields, for example, can control the direct-current resistance and reversibly ...
    • Electrochemical characterization of YMnO3 in alkaline solution - Identifying the characteristic voltammogram and developing the experimental procedure 

      Thorbjørnsen, Kristian Fredrik (Master thesis, 2016)
      Electrochemical intercalation of oxygen into oxide structures has been studied ever since it was first observed in 1990. A recent paper investigated using electrochemical intercalation of oxygen into vacancies in LaMnO3 ...
    • Electronic bulk and domain wall properties in B-site doped hexagonal ErMnO3 

      Holstad, Theodor S.; Evans, Donald; Ruff, Alexander; Småbråten, Didrik Rene; Schaab, Jakob; Tzschaschel, Christian; Yan, Zewu; Bourret, Edith; Selbach, Sverre Magnus; Krohns, Stephan; Meier, Dennis (Journal article; Peer reviewed, 2018)
      Acceptor and donor doping is a standard for tailoring semiconductors. More recently, doping was adapted to optimize the behavior at ferroelectric domain walls. In contrast to more than a century of research on semiconductors, ...
    • Electronic properties of reduced molybdenum oxides 

      Inzani, Katherine; Nematollahi, Mohammadreza; Vullum-Bruer, Fride; Grande, Tor; Reenaas, Turid Worren; Selbach, Sverre Magnus (Journal article; Peer reviewed, 2017)
      The electronic properties of MoO3 and reduced molybdenum oxide phases are studied by density functional theory (DFT) alongside characterization of mixed phase MoOx films. Molybdenum oxide is utilized in compositions ranging ...
    • Electronic Property Engineering in a Ferroelectric Oxide: Nanostructuring and Advanced Characterization. 

      He, Jiali (Doctoral theses at NTNU;2024:102, Doctoral thesis, 2024)
      The advancement of electronic nanotechnology hinges on the use of innovative materials and new conceptual approaches for devices to meet the demand of miniaturization, energy efficiency, and sustainability. Ferroelectric ...