The defect chemistry of nitrogen in oxides: A review of experimental and theoretical studies
- University of Oslo, Department of Chemistry, Centre for Materials Science and Nanotechnology (SMN), Gaustadalleen 21, FERMiO, NO-0349 Oslo (Norway)
Incorporation of nitrogen into oxides has in recent years received increased attention as a variable for tuning their functional properties. A vast number of reports have been devoted to improving the photocatalytic properties of TiO{sub 2}, p-type charge carrier concentration in ZnO and the ionic transport properties of ZrO{sub 2} by nitrogen doping. In comparison, the fundamentals of the nitrogen related defect chemistry for a wider range of oxides have been less focused upon. In the present contribution, we review experimental and computational investigations of the nitrogen related defect chemistry of insulating and semiconducting oxides. The interaction between nitrogen and protons is important and emphasized. Specifically, the stability of nitrogen defects such as N{sub O}{sup /}, NH{sub O}{sup Multiplication-Sign} and (NH{sub 2}){sub O}{sup Bullet} is evaluated under various conditions and their atomistic and electronic structure is presented. A final discussion is devoted to the role of nitrogen with respect to transport properties and photocatalytic activity of oxides. - Graphical abstract: Experimental and theoretical investigations of the nitrogen related defect chemistry of a range of wide band gap oxides is reviewed. The interaction between nitrogen dopants and protons is emphasized and described through the atomistic and electronic structure as well as defect chemical processes involving NH and NH{sub 2} defects. Consequently, the physical properties of oxides containing such species are discussed with respect to e.g., diffusion and photocatalytic properties. Highlights: Black-Right-Pointing-Pointer Experimental and theoretical investigations of the nitrogen and hydrogen related defect chemistry of wide band gap oxides is reviewed. Black-Right-Pointing-Pointer The interaction between nitrogen dopants and protons is important and emphasized. Black-Right-Pointing-Pointer Diffusion and photocatalytic properties of N-doped oxides are discussed.
- OSTI ID:
- 22149999
- Journal Information:
- Journal of Solid State Chemistry, Vol. 198; Other Information: Copyright (c) 2012 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
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