The origin of visible light photocatalytic activity of N-doped and weak ferromagnetism of Fe-doped TiO2 anatase

Tóm tắt

In this paper, we present the experimental result as well as the theoretical calculation of the electronic band structures and the optical absorption spectra for N-doped and Fe-doped TiO2 anatase. The main purpose is to provide evidence in the viewpoint of visible light photocatalytic activity of N-doped and weak ferromagnetism of Fe-doped in TiO2 anatase. Accordingly, to evaluate the separate contributions of nitrogen doping and iron doping in anatase, we present the results of spin-polarized density functional theory (DFT) calculations that have been used to calculate the electronic band structures and optical absorption spectra that arise for a range of concentrations of (i) substitutional nitrogen and (ii) substitutional iron in anatase TiO2. Our results show that absorption in the visible range is mainly due to nitrogen states located above the valence bands, whereas weak ferromagnetism of Fe-doped in TiO2 anatase is mainly caused by spin polarization. These results have important implications for the understanding and further development of photocatalytic materials that are active under visible light. These findings agree favorably with our own experimental data and enable conclusions to be drawn about the nature of the practical catalyst in N-doped and the ferromagnetic origin in Fe-doped TiO2 anatase.

Từ khoá

Keywords: density functional theory, photocatalytic, absorption

Tài liệu tham khảo

[1] Fujishima A and Honda K 1972 Nature 238 5358

[2] Kim J P, Cho C R, Cho J H, Kim D H and Jeong S Y 2005 J. Korean Phys. Soc. 47 263

[3] Hoffmann M R, Martin S T, Choi W and Bahnemann D W 1995 Chem. Rev. 95 69

[4] Luu C L, Nguyen Q T and Ho S T 2010 Adv. Nat. Sci.: Nanosci. Nanotechnol. 1 15008

[5] Vu A T, Nguyen Q T, Linh Bui T H, Tran M C, Dang T P and Hoa T K Tran 2010 Adv. Nat. Sci.: Nanosci. Nanotechnol. 1 15009

[6] Zhao W, Ma W, Chen C, Zhao J and Shuai Z 2004 Chem. Soc. 126 4782

[7] Sakthivel S and Kisch H 2003 Angew. Chem., Int. Ed. Engl. 42 4908

[8] Asahi R, Morikawa T, Ohwaki T, Aoki K and Taga Y 2010 Science 293 269

[9] Sato S, Nakamura R and Abe S 2005 Appl. Catal. 284 131

[10] Yu J C, Ho W, Yu J, Yip H, Wong P K and Zhao J 2005 Environ. Sci. Technol. 39 1175

[11] Yu J C, Yu J and Ho W 2002 Chem. Mater. 14 3808

[12] Umebayashi T, Yamaki T, Yamamoto S, Miyashita A, Tanaka S, Sumita S and Asai K J 2003 Appl. Phys. 93 5156

[13] Zhang Z, Wang C, Zakaria R and Ying Y J 1998 J. Phys. Chem. B 102 10871

[14] Zhu J, Deng J, Chen F, Zhang J, Chen H, Anpo M, Huang J and Zhang L 2006 Appl. Catal. B 62 329

[15] Zhu J, Zheng W, He B and Anpo M J 2004 J. Mol. Cat. A 216 35

[16] Di Paola A, Marci G, Palmisano L, Schiavello M, Uosaki K, Ikeda S and Ohtani B 2002 Phys. Chem. B 106 637

[17] Nagaveni K, Hegde M S and Madras G J 2004 Phys. Chem. B 108 20204

[18] Choi W, Termin A and Hoffmann M R 1994 Angew. Chem., Int. Ed. Engl. 33 1091

[19] Yamashita H, Ichihashi Y, Takeuchi M, Kishiguchi S and Anpo M 1999 Synchrotron Radiat. 6 451

[20] Takeuchi M and Anpo M 2001 J. Photoenergy 3 91

[21] Minh N V, Hien N T M, Vien V, Kim J, Noh W S, Yang I S, Dung D T, Khang N C and Khoi N T 2008 J. Korean Phys. Soc. 52 1629

[22] Wang R, Hashimoto K, Fujishima A, Kojima E, Chikumi M, Kitamura A, Shimohigoshi M and Fujishima A 1997 Nature 388 431

[23] Stampfl C and Van de Wall C G 1999 Phys. Rev. 59 5521

Các bài trích dẫn đến

1. Van Hieu Nguyen, Bich Ha Nguyen. Visible light responsive titania-based nanostructures for photocatalytic, photovoltaic and photoelectrochemical applications in Advances in Natural Sciences: Nanoscience and Nanotechnology (Vol. 3, No. 2, 2012)
2. M Hamadanian, A Reisi-Vanani, P Razi, S Hoseinifard, V Jabbari. Photodeposition-assisted synthesis of novel nanoparticulate In, S-codoped TiO2 powders with high visible light-driven photocatalytic activity in Applied Surface Science (Vol. 285, 2013)
3. A Syafiq, AK Pandey, NN Adzman, Nasrudin Abd Rahim. Advances in approaches and methods for self-cleaning of solar photovoltaic panels in Solar Energy (Vol. 162, 2018)
4. Ayyakannu Sundaram Ganeshraja, Subramani Thirumurugan, Kanniah Rajkumar, Kaixin Zhu, Yanjie Wang, Krishnamoorthy Anbalagan, Junhu Wang. Effects of structural, optical and ferromagnetic states on the photocatalytic activities of Sn–TiO 2 nanocrystals in RSC Advances (Vol. 6, No. 1, 2016)
5. Haytham MM Ibrahim. Photocatalytic degradation of methylene blue and inactivation of pathogenic bacteria using silver nanoparticles modified titanium dioxide thin films in World Journal of Microbiology and Biotechnology (Vol. 31, No. 7, 2015)
6. Joseph Rabani, Sara Goldstein. Mechanisms of Reactions Induced by Photocatalysis of Titanium Dioxide Nanoparticles in Environmental Photochemistry Part III (2013)
7. Julio César González-Torres, Enrique Poulain, Víctor Domínguez-Soria, Raúl García-Cruz, Oscar Olvera-Neria. C-, N-, S-, and F-doped anatase TiO2 (101) with oxygen vacancies: photocatalysts active in the visible region in International Journal of Photoenergy (Vol. 2018, 2018)
8. Karsten Henkel, Chittaranjan Das, Małgorzata Kot, Dieter Schmeißer, Franziska Naumann, Irina Kärkkänen, Hassan Gargouri. In-gap states in titanium dioxide and oxynitride atomic layer deposited films in Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films (Vol. 35, No. 1, 2017)
9. A Syafiq, B Vengadaesvaran, AK Pandey, Nasrudin Abd Rahim. Superhydrophilic Smart Coating for Self-Cleaning Application on Glass Substrate in Journal of Nanomaterials (Vol. 2018, 2018)