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Distinct behaviour of localized and delocalized carriers in anatase TiO2 (001) during reaction with O2

Research output: Contribution to journalArticlepeer-review

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Distinct behaviour of localized and delocalized carriers in anatase TiO2 (001) during reaction with O2. / Bigi, C; Tang, Z; Pierantozzi, G; Orgiani, P; Das, P; Fujii, J; Vobornik, I; Pincelli, T; Troglia, A; Lee, T; Ciancio, R; Drazic, G; Verdini, A; Regoutz, A; King, Phil; Biswas, Deepnarayan; Rossi, G; Panaccione, G; Selloni, A.

In: Physical Review Materials, Vol. 4, No. 2, 025801, 28.02.2020.

Research output: Contribution to journalArticlepeer-review

Harvard

Bigi, C, Tang, Z, Pierantozzi, G, Orgiani, P, Das, P, Fujii, J, Vobornik, I, Pincelli, T, Troglia, A, Lee, T, Ciancio, R, Drazic, G, Verdini, A, Regoutz, A, King, P, Biswas, D, Rossi, G, Panaccione, G & Selloni, A 2020, 'Distinct behaviour of localized and delocalized carriers in anatase TiO2 (001) during reaction with O2', Physical Review Materials, vol. 4, no. 2, 025801. https://doi.org/10.1103/PhysRevMaterials.4.025801

APA

Bigi, C., Tang, Z., Pierantozzi, G., Orgiani, P., Das, P., Fujii, J., Vobornik, I., Pincelli, T., Troglia, A., Lee, T., Ciancio, R., Drazic, G., Verdini, A., Regoutz, A., King, P., Biswas, D., Rossi, G., Panaccione, G., & Selloni, A. (2020). Distinct behaviour of localized and delocalized carriers in anatase TiO2 (001) during reaction with O2. Physical Review Materials, 4(2), [025801]. https://doi.org/10.1103/PhysRevMaterials.4.025801

Vancouver

Bigi C, Tang Z, Pierantozzi G, Orgiani P, Das P, Fujii J et al. Distinct behaviour of localized and delocalized carriers in anatase TiO2 (001) during reaction with O2. Physical Review Materials. 2020 Feb 28;4(2). 025801. https://doi.org/10.1103/PhysRevMaterials.4.025801

Author

Bigi, C ; Tang, Z ; Pierantozzi, G ; Orgiani, P ; Das, P ; Fujii, J ; Vobornik, I ; Pincelli, T ; Troglia, A ; Lee, T ; Ciancio, R ; Drazic, G ; Verdini, A ; Regoutz, A ; King, Phil ; Biswas, Deepnarayan ; Rossi, G ; Panaccione, G ; Selloni, A. / Distinct behaviour of localized and delocalized carriers in anatase TiO2 (001) during reaction with O2. In: Physical Review Materials. 2020 ; Vol. 4, No. 2.

Bibtex - Download

@article{89934390221344b89de512bad756ee18,
title = "Distinct behaviour of localized and delocalized carriers in anatase TiO2 (001) during reaction with O2",
abstract = "Two-dimensional (2D) metallic states induced by oxygen vacancies (VOs) at oxide surfaces and interfaces provide opportunities for the development of advanced applications, but the ability to control the behavior of these states is still limited. We used angle resolved photoelectron spectroscopy combined with density-functional theory (DFT) to study the reactivity of VO-induced states at the (001) surface of anatase TiO2, where both 2D metallic and deeper lying in-gap states (IGs) are observed. The 2D and IG states exhibit remarkably different evolutions when the surface is exposed to molecular O2: while IGs are almost completely quenched, the metallic states are only weakly affected. DFT calculations indeed show that the IGs originate from surface VOs and remain localized at the surface, where they can promptly react with O2. In contrast, the metallic states originate from subsurface vacancies whose migration to the surface for recombination with O2 is kinetically hindered on anatase TiO2 (001), thus making them much less sensitive to oxygen dosing.",
author = "C Bigi and Z Tang and G Pierantozzi and P Orgiani and P Das and J Fujii and I Vobornik and T Pincelli and A Troglia and T Lee and R Ciancio and G Drazic and A Verdini and A Regoutz and Phil King and Deepnarayan Biswas and G Rossi and G Panaccione and A Selloni",
year = "2020",
month = feb,
day = "28",
doi = "10.1103/PhysRevMaterials.4.025801",
language = "English",
volume = "4",
journal = "Physical Review Materials",
issn = "2475-9953",
publisher = "AMER PHYSICAL SOC",
number = "2",

}

RIS (suitable for import to EndNote) - Download

TY - JOUR

T1 - Distinct behaviour of localized and delocalized carriers in anatase TiO2 (001) during reaction with O2

AU - Bigi, C

AU - Tang, Z

AU - Pierantozzi, G

AU - Orgiani, P

AU - Das, P

AU - Fujii, J

AU - Vobornik, I

AU - Pincelli, T

AU - Troglia, A

AU - Lee, T

AU - Ciancio, R

AU - Drazic, G

AU - Verdini, A

AU - Regoutz, A

AU - King, Phil

AU - Biswas, Deepnarayan

AU - Rossi, G

AU - Panaccione, G

AU - Selloni, A

PY - 2020/2/28

Y1 - 2020/2/28

N2 - Two-dimensional (2D) metallic states induced by oxygen vacancies (VOs) at oxide surfaces and interfaces provide opportunities for the development of advanced applications, but the ability to control the behavior of these states is still limited. We used angle resolved photoelectron spectroscopy combined with density-functional theory (DFT) to study the reactivity of VO-induced states at the (001) surface of anatase TiO2, where both 2D metallic and deeper lying in-gap states (IGs) are observed. The 2D and IG states exhibit remarkably different evolutions when the surface is exposed to molecular O2: while IGs are almost completely quenched, the metallic states are only weakly affected. DFT calculations indeed show that the IGs originate from surface VOs and remain localized at the surface, where they can promptly react with O2. In contrast, the metallic states originate from subsurface vacancies whose migration to the surface for recombination with O2 is kinetically hindered on anatase TiO2 (001), thus making them much less sensitive to oxygen dosing.

AB - Two-dimensional (2D) metallic states induced by oxygen vacancies (VOs) at oxide surfaces and interfaces provide opportunities for the development of advanced applications, but the ability to control the behavior of these states is still limited. We used angle resolved photoelectron spectroscopy combined with density-functional theory (DFT) to study the reactivity of VO-induced states at the (001) surface of anatase TiO2, where both 2D metallic and deeper lying in-gap states (IGs) are observed. The 2D and IG states exhibit remarkably different evolutions when the surface is exposed to molecular O2: while IGs are almost completely quenched, the metallic states are only weakly affected. DFT calculations indeed show that the IGs originate from surface VOs and remain localized at the surface, where they can promptly react with O2. In contrast, the metallic states originate from subsurface vacancies whose migration to the surface for recombination with O2 is kinetically hindered on anatase TiO2 (001), thus making them much less sensitive to oxygen dosing.

U2 - 10.1103/PhysRevMaterials.4.025801

DO - 10.1103/PhysRevMaterials.4.025801

M3 - Article

VL - 4

JO - Physical Review Materials

JF - Physical Review Materials

SN - 2475-9953

IS - 2

M1 - 025801

ER -

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