Nanotubes of Polytitanic Acids H2TinO2n+1 (n=2, 3, and 4): Structural and Electronic Properties

被引：14

作者：

Enyashin, Andrey N. ^{[1
]}

Ivanovskii, Alexander L. ^{[1
]}

机构：

[1] RAS, Inst Solid State Chem UB, Ekaterinburg 620990, Russia

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2009年 / 113卷 / 49期

关键词：

DENSITY-FUNCTIONAL THEORY; TITANATE NANOTUBES; HYDROTHERMAL TREATMENT; TRITITANATE NANOTUBES; STABILITY; SCHEME;

D O I：

10.1021/jp906670j

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Atomic models of nanotubes of a family of polytitanic acids H2TinO2n+1 (n = 2, 3, and 4) are proposed, and their properties are Studied by means of the density functional theory based (DFTB) method as a function of their chemical composition and radii in comparison with the related dehydrogenated lepidocrocite TiO2 nanotubes. We find that these nanotubes have very similar structural properties, which are difficult to distinguish with the commonly applied XRD technique. The variable composition can be attributed to the nanotubes of titanic acid obtained experimentally due to thermodynamic dehydration <-> hydration equilibrium.

引用

页码：20837 / 20840

页数：4

共 27 条

[1] Protonated titanates and TiO2 nanostructured materials:: Synthesis, properties, and applications [J].

Bavykin, Dmitry V. ;

Friedrich, Jens M. ;

Walsh, Frank C. .

ADVANCED MATERIALS, 2006, 18 (21) :2807-2824

[2] Apparent two-dimensional behavior of TiO2 nanotubes revealed by light absorption and luminescence [J].

Bavykin, DV ;

Gordeev, SN ;

Moskalenko, AV ;

Lapkin, AA ;

Walsh, FC .

JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (18) :8565-8569

[3]

Chen Q, 2002, ADV MATER, V14, P1208, DOI 10.1002/1521-4095(20020903)14:17<1208::AID-ADMA1208>3.0.CO

[4]

2-0

[5] The structure of trititanate nanotubes [J].

Chen, Q ;

Du, GH ;

Zhang, S ;

Peng, LM .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 2002, 58 :587-593

[6] Structure, stability and electronic properties of TiO2 nanostructures [J].

Enyashin, AN ;

Seifert, G .

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2005, 242 (07) :1361-1370

[7] Stability and electronic properties of single-walled γ-AlO(OH) nanotubes [J].

Enyashin, Andrei N. ;

Ivanovskii, Alexander L. ;

Seifert, Gotthard .

MENDELEEV COMMUNICATIONS, 2006, 16 (06) :292-294

[8] Structure of nanosized materials by high-energy X-ray diffraction study of titanate nanotubes [J].

Gateshki, Milen ;

Chen, Qing ;

Peng, Lian-Mao ;

Chupas, Peter ;

Petkov, Valeri .

ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 2007, 222 (11) :612-616

[9] Imogolite nanotubes: Stability, electronic, and mechanical properties [J].

Guimaraes, Luciana ;

Enyashin, Andrey N. ;

Frenzel, Johannes ;

Heine, Thomas ;

Duarte, Helio A. ;

Seifert, Gotthard .

ACS NANO, 2007, 1 (04) :362-368

[10] Optimization of the Alkaline Hydrothermal Route to Titanate Nanotubes by a Doehlert Matrix Experience Design [J].

Kochkar, Hafedh ;

Lakhdhar, Nesrine ;

Berhault, Gilles ;

Bausach, Marta ;

Ghorbel, Abdelhamid .

JOURNAL OF PHYSICAL CHEMISTRY C, 2009, 113 (05) :1672-1679

← 1 2 3 →