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NANO2021-Nanoteknologi og nye materiale

Theoretical and experimental study of transition metal oxyhydride nanomaterials for superconductivity and photocatalysis

Alternativ tittel: Teoretisk og eksperimentell studie av overgangsmetalloksydhydrid nanomaterialer for superledningsevne og fotokatalyse

Tildelt: kr 4,7 mill.

I prosjektet har yttrium og titanoksyhydrid som tilhører fremvoksende klasse blandede anionmaterialer blitt studert teoretisk og eksperimentelt. Prediksjon av krystallgittersymmetri, ioniske steder, antall atomer i enhetsceller er etablert. Kjemisk, mekanisk og termodynamisk stabilitet av gitterne er studert og stabile gitter er identifisert. Deponering av materialene er utført ved reaktiv magnetronforstøvning og ved kjemisk metode. Strukturelle egenskaper til de syntetiserte materialene har blitt sammenlignet med de til teoretisk forutsagte. Systematisk karakterisering av materialene er utført. Potensialet til materialene for bruk i fotokatalyse og smarte vinduer er evaluert. Selvrensende egenskap av materialet er etablert. Prototypevindu er utarbeidet. Klimakammertesting er utført. Vi fant et sterkt potensial for fotokrom yttriumoksyhydrid for smarte vindusapplikasjoner. Basert på foreløpige toksisitetsstudier fant vi at YHO er trygt å bruke.

In the project yttrium and titanium oxyhydride that belong to emerging class mixed anion materials have been studied theoretically and experimentally. Prediction of crystal lattice symmetry, ionic sites, number of atoms in unit cells have been established. Chemical, mechanical and thermodynamic stability of the lattices have been studied and stable lattices have been identified. The approach can be extended to the study of other new materials also. Several cubic phases of the material have been established that have been compared to experimental measurements. By XPS measurements it is found that the YHO film has natural encapsulation layer consisting of Y2O3. An exciting result has been received by effective medium theory modelling about reduced reflectance of infrared waves from the multilayer structure Y2O3/YHO/Y2O3. Also, multiphase nature of the material is predicted. The research is under continuation. Deposition of YHO and TiHO has been performed by reactive magnetron sputtering and by chemical method. Systematic characterization of the materials has been performed. Structural and optical properties of the synthesized materials have been compared to those of theoretically predicted ones. Potential of the materials in thin film and powder forms have been evaluated for applications in photocatalysis. Photocatalytic performance of YHO films and powders is weaker than that of TiO2, but it can be added value of YHO in combination with its photochromism. Different color TiHx films have been synthesized at different H2/Ar pressures. Oxidation has been performed at different conditions as well. We found that the films are not photochromic. From the study of temperature dependence of electrical properties, we found that the thin films of YHO and TiHO exhibit semiconducting properties. Black TiO2 has been synthesized by chemical method that exhibit enhanced photocatalytic properties to UV light. Si/black titania composite particles exhibit advanced photocatalytic properties to visible light. Prototype photochromic YHO window has been prepared. Climate chamber testing has been performed. We found strong potential of photochromic yttrium oxyhydride for smart window applications. Based on preliminary toxicity studies we found that YHO is safe to use. The project was platform for enhancing collaboration with participating teams, for training young researchers, infrastructure exchange, new ideas, and competence.

The present project aims to perform multiscale modelling of yttrium oxyhydride (YHO) and titanium oxyhydride (TiHO) combined with experimental verification of the theoretically predicted material designs and evaluate potential for applications of YHO/TiHO in superconductivity, energy saving, and photocatalysis for breakdown of chemical (contaminant) compounds in water. The project is multidisciplinary. It combines effort of scientists/engineers, physicists, chemists, materials scientists, theorists, etc. The team from the Institute for Energy Technology (IFE), Norway, will focus on predicting crystal structures of the new materials that will be used for identifying the most promising synthesis routes including pre- and post-processing schemes. The team from the Institute of Experimental Physics, Slovakia has strong competence on study of different semiconducting, metallic and superconducting materials for superconductivity. The team from Lithuanian Energy Institute (LEI), Lithuania and Transilvania University of Brasov (UTBv), Romania have strong competence on transition metal oxide and hydride film and powder synthesis, characterization and applications in photocatalysis. The SME’s Sunphade AS and KeraNor AS are focused on photochromic YHO films and photocatalysis with YHO/TiHO films, respectively, and having experiences in commercialization of new materials and products. The project is expected to predict the possible lattices for YHO/TiHO and properties by multiscale modelling, to develop physical and chemical deposition methods of YHO/TiHO films and powders, to estimate potential of the materials for applications in photocatalysis, energy saving, and superconductivity as well as to train young researchers, to be a platform for exchange visits, competence, knowledge and infrastructure exchange, joint publications, and to increase the TRL from 2 to 4.

Publikasjoner hentet fra Cristin

Budsjettformål:

NANO2021-Nanoteknologi og nye materiale