浏览全部资源
扫码关注微信
中国石油大学(华东)重质油国家重点实验室,山东 青岛,266580
纸质出版日期:2012-12-10,
收稿日期:2012-8-9,
修回日期:2012-10-29,
扫 描 看 全 文
刘子传, 郑经堂, 赵东风, 吴明铂. TiO<sub>2</sub>禁带宽度和光吸收系数对其光催化性能的影响[J]. 发光学报, 2012,33(12): 1329-1334
LIU Zi-chuan, ZHENG Jing-tang, ZHAO Dong-feng, WU Ming-bo. Effects of Forbidden Bandwidth and Optical Absorption Coeffcient on Photocatalytic Ability of TiO<sub>2</sub>[J]. Chinese Journal of Luminescence, 2012,33(12): 1329-1334
刘子传, 郑经堂, 赵东风, 吴明铂. TiO<sub>2</sub>禁带宽度和光吸收系数对其光催化性能的影响[J]. 发光学报, 2012,33(12): 1329-1334 DOI: 10.3788/fgxb20123312.1329.
LIU Zi-chuan, ZHENG Jing-tang, ZHAO Dong-feng, WU Ming-bo. Effects of Forbidden Bandwidth and Optical Absorption Coeffcient on Photocatalytic Ability of TiO<sub>2</sub>[J]. Chinese Journal of Luminescence, 2012,33(12): 1329-1334 DOI: 10.3788/fgxb20123312.1329.
为了研究TiO
2
禁带宽度和光吸收系数对其光催化性能的影响
使用Materials Studio的Dmol3和CASTEP模块分别对Ag
+
、Fe
3+
、Pt
4+
、La
3+
4种金属离子掺杂TiO
2
的能带结构和光学性质进行分析。分子模拟表明:金属离子掺杂使TiO
2
的禁带宽度变窄、吸收波长红移
相同光照条件下光吸收系数增加
影响了TiO
2
的光催化性能。光催化反应实验表明:在254 nm照射条件下
TiO
2
的禁带宽度为1.09 eV时光催化性能最好
TiO
2
的光吸收系数越大
光催化性能越好。
The effects of band structure and optical properties of TiO
2
doped Ag
+
Fe
3+
Pt
4+
La
3+
ions were analyzed by using Materials Studio. The molecular simulation shows that metallic ion doping can make the forbidden bandwidth of TiO
2
narrow
the absorption wavelength of TiO
2
red-shift
and the optical absorption coefficient increase in the same light condition. The changes affect the photocatalytic ability of TiO
2
. Under 254 nm UV light
TiO
2
shows the best photocatalytic ability when the forbidden bandwidth is 1.09 eV
and the higher optical absorption coefficient.
TiO2分子模拟禁带宽度光吸收系数金属离子掺杂
TiO2molecular simulationforbidden bandwidthoptical absorption coefficientmetallic ion doping
Gao L, Zheng S, Zhang Q H. The Photocatalytic Material and Application of Nano TiO2 [M]. Beijing: Chemistry Industry Press, 2002:287-288 (in Chinese).
Cui Y M, Zhang W B, Miao H, et al. New progress in the research on the modification of TiO2 thin film [J]. Ind. Water. Treat.(工业水处理), 2011, 31(4):1-4 (in Chinese).
Ma M Y, Li Y J, Chen W, et al. Preparation and photoactivity of Fe-TiO2 nanocrystalline composites by miniemulsion method [J]. Chin. J. Environ. Eng.(环境工程学报), 2010, 4(5):1041-1046 (in Chinese).
Luo T Y, Wei Z P, Li J H, et al. Synthesis and characterization of CdS/ZnO nano-composites structure and enhanced photocatalytic [J]. Chin. J. Lumin.(发光学报), 2011, 32(7):680-685 (in Chinese).
Zhao H S, Guo Z B, Li Z Q, et al. Preparation and visible light photocatalytic activity of nitrogen-doped nano-TiO2 powders [J]. J. Mater. Eng.(材料工程), 2011, 3:16-19 (in Chinese).
Jing L Q, Sun X J, Cai W M, et al. The preparation and characterization of nanoparticle TiO2/Ti films and their photocatalytic activity [J]. J. Phys. Chem. Solids, 2003, 64(4):615-623.
Zhang P Y, Yu G, Jiang Z P. Preparation and photocatalytic performance of fixed titanium dioxide film [J]. China Environ. Sci.(中国环境科学), 2000, 20(5):436-440 (in Chinese).
Li X D, Liu H L, Jiang Z H, et al. Preparation of fixed TiO2 film and performance of photocatalytic oxidation [J]. J. Harbin. Inst. Technol.(哈尔滨工业大学学报), 2004, 36(1):79-83 (in Chinese).
Hidalgo M C, Sakthivel S, Bahnemann D. Highly photoactive and stable TiO2 coatings on sintered glass [J]. Appl. Catal. A: General, 2004, 277(1-2):183-189.
Ryu C S, Kim M S, Kim B W. Photodegradation of alachlor with the TiO2 film immobilised on the glass tube in aqueous solution [J]. Chemosphere, 2003, 53(7):765-771.
Zhu M, Lai G X, Huang F, et al. Preparation and study of TiO2 nanocrystals/hollow glass microsphere composite fillers [J]. Paint. Coat. Ind.(涂料工业), 2011, 41(6):14-17 (in Chinese).
Zhang J P, Sun Z M, Shi L Y, et al. Preparation of TiO2 Film on stainless steel webnet and the degradation of formaldehyde [J]. J. Inorg. Mater.(无机材料学报), 2005, 20(5):1243-1249 (in Chinese).
Zeng Q G, Le T, Zou H, et al. Temperature effect on the structure and optical properties of Eu/TiO2 nanomaterials [J]. Chin. J. Lumin.(发光学报), 2011, 32(4):358-362 (in Chinese).
Shi W J, Zheng J T, Hu Y, et al. Influence of Ho doping on the crystal structure and photocatalytic activity of TiO2 [J]. J. Chin. Ceram. Soc.(硅酸盐学报), 2007, 35(2):182-186 (in Chinese).
Jiang X L, Ji Y C, Fan Y H, et al. Preparation and visible-light photocatalysis property of yttrium-doped ordered porous TiO2 thin films [J]. J. Chin. Ceram. Soc.(硅酸盐学报), 2012, 40(4):555-561 (in Chinese).
Yang J C, Kim Y C, Shul Y G, et al. Characterization of photoreduction Pt/TiO2 and decomposition of dichloroacetic acid over photoreduced Pt/TiO2 catalysts [J]. Appl. Surf. Sci., 1997, 121:525-529.
Kwon Y T, Song K Y, Lee W I, et al. Photocatalytic behavior of WO3-loaded TiO2 in an oxidation reaction [J]. J. Catal., 2000, 191(1):192-199.
Wang H D, Wan W. Study on the metal doped anatase TiO2 by first principles [J]. Mater. Rev.(材料导报), 2011, 25(7):139-133 (in Chinese).
Zhao Z Y, Liu Q J, Zhu Z Q, et al. First-principles calculation of electronic structure and optical properties of anatase TiO2 [J]. Chin. J. Semicond.(半导体学报), 2007, 28(10):1555-1561 (in Chinese).
Chen H. Calculations of optical properties in anatase TiO2 [J]. Chin. J. Lumin.(发光学报), 2009, 30(5):697-701 (in Chinese).
Liu Q J, Liu Z T, Feng L P, et al. First-principle calculation of anatase TiO2 [J]. J. Qingdao Univ. of Sci. Technol. (青岛科技大学学报), 2010, 31(2):111-115 (in Chinese).
Yin C H, Zhu S S, Zhang Y W, et al. Influence of doping iron group elements on electronic structure and photocatalytic activity of TiO2 [J]. J. Synthetic Crystals (人工晶体学报), 2011, 40(3):662-667 (in Chinese).
Liu X J, Liu Z S, Liu G, et al. First-principles study of electronic structure and optical properties of Pt-doped anatase TiO2 [J]. Jiangxi Science (江西科学) , 2008, 26(5):727-731 (in Chinese).
Ao T G, Hou Q Y, Ying C. Effects of high La doping anatase TiO2 on electronic structure and absorption spectrum from first principles [J]. Titanium Industry Progress (钛工业进展), 2012, 29(1):13-18 (in Chinese).
Robertson J, Xiong K, Clark J. Band structure of functional oxides by screened exchange and the weighteddensity appmxi-marion [J]. Phys. Stat. Sol. B, 2006, 243(9):2054-2070.
0
浏览量
31
下载量
7
CSCD
关联资源
相关文章
相关作者
相关机构