Structure, stability and electronic properties of TiO2 nanostructures

被引：121

作者：

Enyashin, AN

Seifert, G ^{[1
]}

机构：

[1] Tech Univ Dresden, Inst Phys Chem & Elektrochem, D-01062 Dresden, Germany

[2] Russian Acad Sci, Inst Solid State Chem, Ural Branch, Ekaterinburg, Russia

来源：

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 2005年 / 242卷 / 07期

关键词：

D O I：

10.1002/pssb.200540026

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The structural properties, the stability and the electronic properties of various nanostructures based on the titania layer modifications (anatase and lepidocrocite) are studied using the density-functional-based tight-binding method (DFTB). The anatase nanotubes were found as the most stable nanostructure of TiO2. Based on the results of the calculations of the anatase nanostructures a model of their stability was developed. All anatase nanoforms are semiconductors with a direct band gap (similar to 4.2 eV). The lepidocrocite nanotubes are semiconductors with an indirect band gap (similar to 4.5 eV). (c) 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

引用

页码：1361 / 1370

页数：10

共 53 条

[1] Formation of titania nanotubes and applications for dye-sensitized solar cells
Adachi, M
Murata, Y
Okada, I
Yoshikawa, S
[J]. JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2003, 150 (08) : G488 - G493
[2] Chen Q, 2002, ADV MATER, V14, P1208, DOI 10.1002/1521-4095(20020903)14:17<1208::AID-ADMA1208>3.0.CO
[3] 2-0
[4] Preparation and structure analysis of titanium oxide nanotubes
Du, GH
Chen, Q
Che, RC
Yuan, ZY
Peng, LM
[J]. APPLIED PHYSICS LETTERS, 2001, 79 (22) : 3702 - 3704
[5] Electronic structure of doped titanium dioxide nanotubes
Enyashin, AN
Ivanovskaya, VV
Makurin, YN
Bamburov, VG
Ivanovskii, AL
[J]. DOKLADY PHYSICAL CHEMISTRY, 2003, 391 (4-6) : 187 - 190
[6] Titanium oxide nanotube arrays prepared by anodic oxidation
Gong, D
Grimes, CA
Varghese, OK
Hu, WC
Singh, RS
Chen, Z
Dickey, EC
[J]. JOURNAL OF MATERIALS RESEARCH, 2001, 16 (12) : 3331 - 3334
[7] A sentinel sensor network for hydrogen sensing
Grimes, CA
Ong, KG
Varghese, OK
Yang, XP
Mor, G
Paulose, M
Dickey, EC
Ruan, CM
Pishko, MV
Kendig, JW
Mason, AJ
[J]. SENSORS, 2003, 3 (03) : 69 - 82
[8] Formation of a titanium dioxide nanotube array
Hoyer, P
[J]. LANGMUIR, 1996, 12 (06) : 1411 - 1413
[9] Direct preparation of anatase TiO2 nanotubes in porous alumina membranes
Imai, H
Takei, Y
Shimizu, K
Matsuda, M
Hirashima, H
[J]. JOURNAL OF MATERIALS CHEMISTRY, 1999, 9 (12) : 2971 - 2972
[10] Morphology transcription with TiO2 using chemical solution growth and its application for photocatalysts
Imai, H
Matsuta, M
Shimizu, K
Hirashima, H
Negishi, N
[J]. SOLID STATE IONICS, 2002, 151 (1-4) : 183 - 187

← 1 2 3 4 5 6 →