Electronic and photonic behavior of (Fe or Co)-C codoped TiO2 mediated by H ions: First principles calculations

作者: Ya Fei Zhao , Can Li , Yin Yan Gong , Leng Yuan Niu , Xin Juan Liu

DOI: 10.1016/J.CPLETT.2015.08.049

关键词:

摘要: Bond formation and relaxation are effective methods to alter the electronic and photonic behavior of semiconductor. With the aid of first principle calculations, the electronic …

参考文章(47)
Anthony R. West, Basic Solid State Chemistry ,(1988)
V G Hadjiev, M N Iliev, I V Vergilov, The Raman spectra of Co3O4 Journal of Physics C: Solid State Physics. ,vol. 21, ,(1988) , 10.1088/0022-3719/21/7/007
Yongqing Cai, Gang Zhang, Yong-Wei Zhang, Polarity-Reversed Robust Carrier Mobility in Monolayer MoS2 Nanoribbons Journal of the American Chemical Society. ,vol. 136, pp. 6269- 6275 ,(2014) , 10.1021/JA4109787
Jimmy C. Yu, Yu, Ho, Jiang, Zhang, Effects of F- Doping on the Photocatalytic Activity and Microstructures of Nanocrystalline TiO2 Powders Chemistry of Materials. ,vol. 14, pp. 3808- 3816 ,(2002) , 10.1021/CM020027C
A Di Paola, E Garcı́a-López, S Ikeda, G Marcı̀, B Ohtani, L Palmisano, Photocatalytic degradation of organic compounds in aqueous systems by transition metal doped polycrystalline TiO2 Catalysis Today. ,vol. 75, pp. 87- 93 ,(2002) , 10.1016/S0920-5861(02)00048-2
Siva Nagi Reddy Inturi, Thirupathi Boningari, Makram Suidan, Panagiotis G. Smirniotis, Visible-light-induced photodegradation of gas phase acetonitrile using aerosol-made transition metal (V, Cr, Fe, Co, Mn, Mo, Ni, Cu, Y, Ce, and Zr) doped TiO2 Applied Catalysis B-environmental. ,vol. 144, pp. 333- 342 ,(2014) , 10.1016/J.APCATB.2013.07.032
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
Isao Nakamura, Nobuaki Negishi, Shuzo Kutsuna, Tatsuhiko Ihara, Shinichi Sugihara, Koji Takeuchi, Role of oxygen vacancy in the plasma-treated TiO2 photocatalyst with visible light activity for NO removal Journal of Molecular Catalysis A-chemical. ,vol. 161, pp. 205- 212 ,(2000) , 10.1016/S1381-1169(00)00362-9
Lan Mi, Peng Xu, Hong Shen, Pei-Nan Wang, Weidian Shen, First-principles calculation of N:H codoping effect on energy gap narrowing of TiO2 Applied Physics Letters. ,vol. 90, pp. 171909- ,(2007) , 10.1063/1.2731707
L. Samet, J. Ben Nasseur, R. Chtourou, K. March, O. Stephan, Heat treatment effect on the physical properties of cobalt doped TiO2 sol–gel materials Materials Characterization. ,vol. 85, pp. 1- 12 ,(2013) , 10.1016/J.MATCHAR.2013.08.007