Full-Text Search:
Home|Journal Papers|About CNKI|User Service|FAQ|Contact Us|中文
《Journal of Synthetic Crystals》 2015-01
Add to Favorite Get Latest Update

First-Principle Study on the Electronic Structures and Optical Properties of(Ag,N) Co-doped Anatase TiO_2

GONG Chang-wei;WANG Jia-heng;FU Xian-kai;JIAO Jun-rong;CHAI Yue-sheng;College of Materials Science and Engineering,Taiyuan University of Science and Technology;  
The crystal structure,electronic structure and optical properties of Pure anatase TiO2,Ag doped,N doped and Ag-N co-doped anatase TiO2 were studied by using the first-principles calculation method based on density functional theory. The calculated results show that the crystal package is expanded and the lattice is distorted apparently in doped TiO2. Some news energy impurity levels appear in the forbidden band gap of Ag-N co-doped TiO2. Conduction band moves down and width of band gap decreases to 1. 34 e V,which leads to the red shift of the optical absorption edges to visible-light region and to increase in coefficient of both ultraviolet and visible absorption, thereby facilitating the enhancement of the photocatalytic efficiency.
【Fund】: 国家自然科学青年基金(11204199);; 山西省大学生UIT项目(2012239);; 太原科技大学UIT项目(XJ2012015)
【CateGory Index】: O469
Download(CAJ format) Download(PDF format)
CAJViewer7.0 supports all the CNKI file formats; AdobeReader only supports the PDF format.
【Citations】
Chinese Journal Full-text Database 9 Hits
1 ZHANG Lihong1,2,LI Peijun 2,XU Chengbin,CHEN Zhonglin2,LI Xuemei3 (1. School of Environmental Science,Liaoning University,Shenyang 110036,China; 2. Institute of Applied Ecology,Chinese Academy of Sciences,Shenyang 110016,China; 3. College of Chemistry and Life Science,Shenyang Normal University,Shenyang 110034,China);Effects of photocatalytic degradation of PAHs on soil surfaces using nano-TiO_2 under UV-light irradiation[J];Journal of Liaoning Technical University(Natural Science);2010-01
2 CHEN Shu-min1,CAO Guang-lian2,CAO Guang-xiu1(1.Department of Chemistry,Shangqiu Normal University,Shangqiu 476000,China; 2.Shanghai Modern Hassan(Shangqiu) Pharmaceutical Co.Ltd.,Shangqiu 476000,China);Synthesis of N-Fe-codoped TiO_2 by Auto Combusting Method and Its Visible Light Photocatalytic Activity[J];Bulletin of the Chinese Ceramic Society;2011-03
3 ZHANG Ying,YAN Ning-ning,ZHU Zhong-qi,ZHANG Jin,LIU Qing-ju(Yunnan Key Laboratory of Nanomaterials & Technology,Yunnan University,Kunming 650091,China);Preparation,properties and mechanism of Ag-TiO_2 photocatalyst[J];Journal of Functional Materials;2013-02
4 GE Zeng-xian,WEI Ai-xiang,ZHAO Wang,LIU Jun,LIU Chuan-biao(Faculty of Material and Energy,Guangdong University of Technology,Guangzhou 510060,China);Synthesis of TiO_2 Nano-flowers and Application in Dye-sensitized Solar Cells[J];Journal of Synthetic Crystals;2010-05
5 KANG Jun-long,YAO Lan-fang,YANG Song-lin,WANG Ya-qin,LIANG Xing,HUANG Yan(1.College of Science,University of Shanghai for Science and Technology,Shanghai 200093,China; 2.Shanghai Key Laboratory of Special Artificial Microstructure Materials and Technology,Shanghai 200093,China);Preparation and Photocatalytic Activity of Ce-doped TiO_2 Composite Nanometer Films[J];Journal of Synthetic Crystals;2013-04
6 YU Hui,YU Mei-yan,ZHANG Yue,SUN Wei-wei,LIU Ying(Institute of Material Science and Engineering,Ocean University of China,Qingdao 266100,China)(Received 18 January 2013,accepted 13 March 2013);Design of Theoretical Model on the N and Transition Metal Co-doped TiO_2[J];Journal of Synthetic Crystals;2013-06
7 Xu Ling1) Tang Chao-Qun1) Qian Jun2) 1)(School of Physics,Huazhong University of Science and Technology,Wuhan 430074,China) 2)(School of Printing and Packaging,Wuhan University,Wuhan 430072,China);The first-principles study of absorption spectrum of C-doped anatase TiO_2[J];Acta Physica Sinica;2010-04
8 Zhang Xue-Jun1)2) Liu Qing-Ju 2) Deng Shu-Guang1) Chen Juan3) Gao Pan2) 1)(Department of Physics and Electron Information Engineering,Hunan City University,Yiyang 413000,China) 2)(Key Laboratory of Nanomaterials and Nanotechnology of Yunnan Province,College of Physics Science and Technology,Yunnan University,Kunming 650091,China) 3)(Department of Information Engineering,Hunan Vocational and Technical College of Engineering,Changsha 410151,China);Effects of Mn and N codoping on microstructure and performance of anatase TiO_2[J];Acta Physica Sinica;2011-08
9 TANG Jian-jun1,WANG Yue-jun2,DENG Ai-hua1,YUAN Hui-zhou1,ZHOU Kang-gen2(1.School of Construction and Environmental Engineering,Shenzhen Polytechnic,Shenzhen 518055,China;2.School of Metallurgical Science and Engineering,Central South University,Changsha 410083,China);Preparation and characterization of N-doped TiO_2 photocatalyst[J];The Chinese Journal of Nonferrous Metals;2007-09
【Co-citations】
Chinese Journal Full-text Database 10 Hits
1 TANG Jian-jun1),FAN Xiao-jiang2),ZOU Yuan1),DENG Ai-hua1),ZHANG Wei1),ZHOU Kang-gen2)1) Shenzhen Key Lab of Industrial Water Conservation & Municipal Wastewater Resources Technology,Shenzhen Polytechnic,Shenzhen 518055,China 2) School of Metallurgical Science and Engineering,Central South University,Changsha 410083,China;Effect of crystalline structure on TiO_2 photocatalysis under visible light irradiation[J];Journal of University of Science and Technology Beijing;2009-04
2 LIU Guocong~(1,2) DONG Hui~1 LIU Shaoyou~3 1.Institute of advanced materials & Chembiosensing technology,Yulin Normal University,Yulin 537000 2.College of Chemistry and Chemical Engineering,Cental South University,Changsha 410083 3.Institute of Applied Chemistry,Kaili College,Kaili 556000;Citric Acid-Catalyzed Synthesis of N-doped Mesoporous TiO_2 and Their Photocatalytical Properties[J];Chinese Journal of Materials Research;2010-06
3 LI Zhong-bao,1,ZHU Ya1,YAO Kai-lun2 ( 1.Department of Physics and Electnmic Science,Tongren University,Tongren 554300, China; 2.Department of Physics,Huazhong University of Science and Technology,Wu han 430074,China);Electronic structures and optical properties of MgF_2 doped by O:first-principle calculations[J];Journal of Molecular Science;2011-04
4 CAO Guang-xiu1,CAO Guang-lian2,QIU Xiao-yang1(1.Department of Chemistry,Shangqiu Normal University,Shangqiu 476000,China; 2.Shanghai Modern Hasen(Shangqiu) Pharmaceutical Co.,Ltd.,Shangqiu 476000,China);Preparation of Hierarchical Porous S and N Co-doped TiO_2 and Its Continuous-flow Visible Light Photocatalysis[J];Bulletin of the Chinese Ceramic Society;2012-02
5 ZHAO Si-qin1,2,GUO Min1,ZHANG Mei1,WANG Xi-gui2,CHANG Shan21.School of Metallurgical and Ecological Engineering,University of Science &Technology Beijing,Beijing 100083,China2.College of Chemistry and Environmental Science,Inner Mongolia Normal University,Huhhot 010022,China;Preparation and Spectroscopy Properties of Eu_2(CA)_3(phen)_2 Doped Eu~(3+)/TiO_2 Nano-Powders[J];Spectroscopy and Spectral Analysis;2010-08
6 ZHU Liang-di,ZHANG Jin,ZHU Zhong-qi,LIU Qing-ju(Key Laboratory of Nanomaterials and Nanotechnology of Yunnan Province, Yunnan University,Kunming 650091,China);First-principles study on electronic structure and optical properties of anatase TiO_2 codoped with sulfur and manganese[J];Journal of Functional Materials;2013-01
7 LI Zongbao1,WANG Xia2,ZHOU Xun3,ZHU Ya1(1.Department of Physics & Electronic Science,Tongren University,Tongren 554300,China; 2.Department of Biology & Chemistry,Tongren University,Tongren 554300,China;3.School of Physics & Electronic Science,Normal University of Guizhou,Guiyang 550001,China);Density function theory on performance increase of TiO_2 codoped with S and Co[J];Journal of Liaoning Technical University(Natural Science);2013-02
8 Tian Yun;Feng Qing;Din Shoubing;Liu Tong;Gao Jiemei;Wu Fang;College of Physics and Electronic Engineering,Chongqing Normal University;Chongqing Key Laboratory on Optoelectronic Functional Materials;;Effect of Red Shift in Rutile TiO_2 Caused by Nonmetallic Impurity C,N,S Co-Doping[J];Acta Optica Sinica;2013-08
9 Wen-Jia Cai;Lin-Ping Qian;Bin Yue;Xue-Ying Chen;He-Yong He;Department of Chemistry and Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Fudan University;;Reforming of CH_4 with CO_2 over Co/Mg–Al oxide catalyst[J];中国化学快报(英文版);2013-09
10 TIAN Yan;ZHENG Shukai;College of Electronic and Informational Engineering,Hebei University;Research Center for Computational Materials and Device Simulation,Hebei University;;Calculation of Electronic Energy Band Structure of Fe-N-S Co-doped Anatase TiO_2[J];China Powder Science and Technology;2014-01
China Proceedings of conference Full-text Database 1 Hits
1 ZHANG Peng,ZHANG Zi-jie,PENG Zhen-shan,CAI Tie-jun,DENG Qian~* (School of Chemistry and Chemical Engineering,Hunan University of Science and Technology,Xiangtan 411201,P.R China);Study on Visible Light Photo-Catalytic Elimination of Acetone Gases over the N、Fe、H_3PW_(12)O_(40)/TiO_2 Catalysts[A];[C];2010
【Secondary Citations】
Chinese Journal Full-text Database 10 Hits
1 Liu Guangming, Zhang Tianyong, Wu Taixing, Zhao Jincai (Institute of Photographic Chemistry, The Chinese Academy of Sciences, Beijing 100101) Wang Hui (Department of Environmental Science and Technology, Tsinghua University, Beijing 100084);MECHANISM OF PHOTOCATALYTIC DEGRADATION OF DYE POLLUTANT—ALIZARIN RED UNDER VISIBLE LIGHT RADIATION[J];CHINESE JOURNAL OF CATALYSIS;1999-03
2 YOU Xianfeng~1,CHEN Feng~1,ZHANG Jinlong~(1*),HUANG Jiazhen~2,ZHANG Lizhong~2(1 Laboratory for Advanced Materials,Institute of Fine Chemicals,East China University of Science and Technology,Shanghai 200237,China;2 Center of Analysis and Testing,East China University of Science and Technology,Shanghai 200237,China);Photocatalytic Degradation of Methyl Orange on TiO_2 Promoted by Silver[J];Chinese Journal of Catalysis;2006-03
3 Chen Jianjun, Tang Jianjun, Zhao Fanghui, Li Rongxian (New Materials and Bio-Technology Key Laboratory, Research of Tsinghua University in Shenzhen, Shenzhen 518057, China);Preparation and Characterization of Nano Yb_2O_3/TiO_2 Particles[J];Rare Metal Materials and Engineering;2003-07
4 Hou Xin'gang,Xue Caihong,Ha Min(State Key Laboratory of Gansu Advanced Non-ferrous Metal Materials,Lanzhou University of Technology,Lanzhou 730050,China);Preparation of TiO_2 nanoparticles doped with Ag+ and study on its photocatalytic performance[J];Powder Metallurgy Technology;2008-04
5 ZHANG Li-hong1,2,3,LI Pei-jun1,GONG Zong-qiang1(1.Shenyang Institute of Applied Ecology,Chinese Academy of Sciences,Shenyang 110016,China;2.Graduate School of Chineses Academy of Science,Beijing100039,China;3.Environmental Department of Liaoning University,Shenyang 110036,China);Effect of soil condition on UV photodegradation of PAHs and kinetics study[J];Journal of Liaoning Technical University;2007-01
6 LIU Hong, WU He jin, SUN Fu xia, YAO Yong lu, WU Ming, LI Wen zhao (Dalian Institute of Chemical Physics, The Chinese Academy of Sciences, Dalian 116023, China);Study of Photocatalytic Degradation of Sulfosalicylic Acid on Titanium Dioxided Reduce by Hydrogen[J];Journal of Molecular Catalysis (China);2001-01
7 LUO Ni,WANG Ning,ZHANG Zhao(College of Chemical Engineering,Sichuan University,Chengdu 610065,China);Study on the preparation of porous Ag/TiO_2 and its photocatalytic performance[J];Journal of Functional Materials;2007-07
8 Xie Lijin1 Ma Junfeng1,2 Zhao Zhongqiang1 Tian Hua1 Zhou Jun1 ( 1Dept. of Chemistry and Chemical Engineering, Oceom University of China,Qingdao 266003; 2Dept. of Materials Science and Engineering, Ocean University of China ,Qingdao 266003);Prospect and Current Status in the Semiconductor Photocatalysts[J];Bulletin of the Chinese Cerrmic Society;2005-06
9 CHEN Yong-gang,LIU Su-wen,FENG Guang-jian,ZHANG Hua-yong,WANG Ping,YU Xiao-jun (Department of Material Science and Engineering,Shandong Institute of Light Industry,Jinan 250353,China);Preparation of N,La-doped TiO_2 Nanopowder by Sovolthermal Method and Its Catalytic Properties of Visible Light[J];Bulletin of the Chinese Ceramic Society;2009-01
10 WANG Dan-jun1,GUO Li1,LI Dong-sheng1,2,FU Feng1,ZHANG Li-ping1,GAO Li-feng1(1.Department of Chemistry and Chemical Engineering,Yan'an 716000,China; 2.College of Mechanical and Material Engineering,Three Gorges University,Yichang 443002,China );Preparation of Fe-Ce-codoping/Active Bleaching Clay Composite Photocatalyst and Its Photocatalytic Property in Factory Wastewater[J];Bulletin of the Chinese Ceramic Society;2010-01
©2006 Tsinghua Tongfang Knowledge Network Technology Co., Ltd.(Beijing)(TTKN) All rights reserved