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Yttrium Tantalum Oxynitride Multiphases as Photoanodes for Water Oxidation

Si, Wenping (author)
Paul Scherrer Inst, Lab Multiscale Mat Expt, CH-5232 Villigen, Switzerland.;Tianjin Univ, Sch Mat Sci & Engn, Minist Educ, Key Lab Adv Ceram & Machining Technol, Tianjin 300072, Peoples R China.
Tehrani, Zahra Pourmand (author)
Paul Scherrer Inst, Lab Multiscale Mat Expt, CH-5232 Villigen, Switzerland.
Haydous, Fatima (author)
Paul Scherrer Inst, Lab Multiscale Mat Expt, CH-5232 Villigen, Switzerland
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Marzari, Nicola (author)
Ecole Polytech Fed Lausanne, Theory & Simulat Mat THEOS, CH-1015 Lausanne, Switzerland.;Ecole Polytech Fed Lausanne, Natl Ctr Computat Design & Discovery Novel Mat MA, CH-1015 Lausanne, Switzerland.
Castelli, Ivano E. (author)
Tech Univ Denmark, Dept Energy Convers & Storage, Fysikvej 309, DK-2800 Lyngby, Denmark.
Pergolesi, Daniele (author)
Paul Scherrer Inst, Lab Multiscale Mat Expt, CH-5232 Villigen, Switzerland.;Paul Scherrer Inst, Electrochem Lab, CH-5232 Villigen, Switzerland.
Lippert, Thomas (author)
Paul Scherrer Inst, Lab Multiscale Mat Expt, CH-5232 Villigen, Switzerland.;Swiss Fed Inst Technol, Dept Chem & Appl Biosci, Lab Inorgan Chem, CH-8093 Zurich, Switzerland.
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Paul Scherrer Inst, Lab Multiscale Mat Expt, CH-5232 Villigen, Switzerland;Tianjin Univ, Sch Mat Sci & Engn, Minist Educ, Key Lab Adv Ceram & Machining Technol, Tianjin 300072, Peoples R China. Paul Scherrer Inst, Lab Multiscale Mat Expt, CH-5232 Villigen, Switzerland. (creator_code:org_t)
2019-10-04
2019
English.
In: The Journal of Physical Chemistry C. - : AMER CHEMICAL SOC. - 1932-7447 .- 1932-7455. ; 123:43, s. 26211-26217
  • Journal article (peer-reviewed)
Abstract Subject headings
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  • The perovskite yttrium tantalum oxynitride is theoretically proposed as a promising semiconductor for solar water splitting because of the predicted band gap and energy positions of band edges. In experiments, however, we show here that depending on the processing parameters, yttrium tantalum oxynitrides exist in multi phases, including the desired perovskite YTaON2, defect fluorite YTa(O,N,square)(4), and N-doped YTaO4. These multiphases have band gaps ranging between 2.13 and 2.31 eV, all responsive to visible light. The N-doped YTaO4, perovskite main phase, and fluorite main phase derived from crystalline fergusonite oxide precursors exhibit interesting photoelectrochemical performances for water oxidation, while the defect fluorite derived from low-crystallized scheelite-type oxide precursors shows negligible activity. Preliminary measurements show that loading an IrOx, cocatalyst on N-doped YTaO4 significantly improves its photoelectrochemical performance, encouraging further studies to optimize this new material for solar fuel production.

Subject headings

NATURVETENSKAP  -- Kemi (hsv//swe)
NATURAL SCIENCES  -- Chemical Sciences (hsv//eng)

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