Publisher's Note: Modification of electronic, optical, and magnetic properties of titanate nanotubes by metal intercalation [Phys. Rev. B<b>75</b>, 035423 (2007)]

Xu, Xiaoguang; Ding, Xiaohua; Chen, Q.; Peng, Liuqi

doi:10.1103/physrevb.75.039904

Cited by 18 publications

(25 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…It can be seen that the top of the valence band and the bottom of the conduction band are located at G(0 0 0) and Z (0 0 0 5), respectively. Na 2 Ti 3 O 7 is a wide band gap semiconductor with the indirect gap of 2.99 eV, which is smaller than the experimental result (3.43 eV) [29] probably because of the fact that GGA often underestimates the band gap of materials [23]. In order to get into the details of the electronic structure of Na 2 Ti 3 O 7 , the total density of states (TDOS) and partial density of states (PDOS) were plotted in Fig.…”

Section: Band Structure and Density Of Statescontrasting

confidence: 39%

“…Due to the high-performance ionexchange property of Na 2 Ti 3 O 7 , it may be used for removal and recovery of heavy metal ions from industrial wastewaters [18], lithium-ion batteries and hydrogen storage materials [5,16]. In contrast to extensive studies on the synthesis and modification of titanate nanostructures, very few theoretical studies were carried out [20,23,24]. Recently, Xu et al [23] , however, the study on the electronic structure and structure stability has not been disclosed.…”

Section: Introductionmentioning

confidence: 99%

“…In contrast to extensive studies on the synthesis and modification of titanate nanostructures, very few theoretical studies were carried out [20,23,24]. Recently, Xu et al [23] , however, the study on the electronic structure and structure stability has not been disclosed. In the present work, we study the electronic structure of Na 2 Ti 3 O 7 by first-principles calculations in order to reveal the relationship between the structure stability and chemical bonding properties.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

First-principle calculations for electronic structure and bonding properties in layered Na2Ti3O7

Xiang

et al. 2011

Open Physics

View full text Add to dashboard Cite

Ê Ú ¾¼ Å Ö ¾¼½½ ÔØ ¾ ÂÙÐÝ ¾¼½½ ×ØÖ ØFirst-principles calculations of Na 2 Ti 3 O 7 have been carried out with density-functional theory (DFT) and ultrasoft pseudopotentials. The electronic structure and bonding properties in layered Na 2 Ti 3 O 7 have been studied through calculating band structure, density of states, electron density, electron density difference and Mulliken bond populations. The calculated results reveal that Na 2 Ti 3 O 7 is a semiconductor with an indirect gap and exhibits both ionic and covalent characters. The stability of the (Ti 3 O 7 ) 2− layers is attributed to the covalent bonding of strong interactions between O 2p and Ti 3d orbitals. Furthermore, the O atoms located in the innerlayers interact more strongly with the neighboring Ti atoms than those in the interlayer regions. The ion-exchange property is due to the ionic bonding between the Na + and (Ti 3 O 7 ) 2− layers, which can stabilize the interlayers of layered Na 2 Ti 3 O 7 structure.

show abstract

Section: Band Structure and Density Of Statescontrasting

confidence: 39%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

First-principle calculations for electronic structure and bonding properties in layered Na2Ti3O7

Xiang

et al. 2011

Open Physics

View full text Add to dashboard Cite

show abstract

“…So far, most studies performed on the nanotubes stability in aqueous media were carried out employing inorganic base and acids such as NaOH and H 2 SO 4 , HNO 3 and HCl, respectively. Zhu et al 20 reported that a phase transition from titanate nanofibers to TiO 2 polymorphs takes place in acid conditions at temperatures close to ambient.…”

Section: Introductionmentioning

confidence: 99%

“…1 In particular, titanate nanotubes have attracted great attention from the scientific community due to their potential applications in biosensors, electronic, optical, magnetic, electrochromic and solar cell devices, as well as in heterogeneous photocatalysis. [2][3][4][5][6][7][8][9] Additionally, 1D titanate nanostructures have also been used as support for the immobilization of myoglobin, 10 and as host for platinum oxide and lithium intercalation. 11,12 Titanate nanotubes can be prepared by hydrothermal treatment of TiO 2 powders (anatase or rutile) in aqueous NaOH solutions.…”

Section: Introductionmentioning

confidence: 99%

Interaction of sodium titanate nanotubes with organic acids and base: chemical, structural and morphological stabilities

Rodrigues¹,

Ferreira²,

Alves³

2010

J. Braz. Chem. Soc.

View full text Add to dashboard Cite

Este trabalho relata a interação de nanotubos de titanato de sódio (Na-TiNT) com soluções aquosas de ácido benzóico, ácido fenilfosfônico e anilina. Os Na-TiNT foram obtidos através do tratamento hidrotérmico de TiO 2 em solução aquosa de NaOH. Os resultados obtidos através de FTIR, XRD, TEM e análise elementar mostraram que a estabilidade química, estrutural e morfológica dos nanotubos está relacionada à natureza química do meio (básico ou ácido) e às condições de tratamento (temperatura e tempo de contato). A fase α-fenilfosfonato de titânio(IV) foi formada a partir da interação dos Na-TiNT com ácido fenilfosfônico; a quantidade da nova fase foi dependente do tempo de contato e sua cristalinidade da temperatura. Porém, TiO 2 ou nanotubo de titanato contendo H + foram obtidos, em função das condições de tratamento, a partir da interação dos Na-TiNT com ácido benzóico. Quando os Na-TiNT interagiram com a anilina nenhuma mudança estrutural, morfológica ou composicional foi observada.This work reports the interaction of sodium titanate nanotubes (Na-TiNT) with aqueous solutions of benzoic and phenylphosphonic acids and of aniline. The Na-TiNT were obtained from hydrothermal treatment of TiO 2 in aqueous NaOH solution. The results obtained from FTIR, XRD, TEM and elemental analyses showed that the chemical, structural and morphological stability of the nanotubes is related to the medium (acidic or basic) and to the treatment conditions (temperature and contact time). A titanium(IV) α-phenylphosphonate phase was obtained from interaction between Na-TiNT and phenylphosphonic acid. The amount and crystallinity of the new phase were dependent of the contact time and temperature, respectively. On the other hand, TiO 2 or protonrich titanate nanotubes were formed, depending on treatment conditions, from interaction between Na-TiNT and benzoic acid. When Na-TiNT interacted with aniline, no chemical, morphological or compositional change was observed.Keywords: titanium oxide, titanium oxide nanotubes, phase transformation, adsorption, carboxylic acid IntroductionIntensive investigation on physical and chemical properties of inorganic one-dimensional (1D) nanostructures such as nanotubes, nanofibers and nanorods has been reported. 1 In particular, titanate nanotubes have attracted great attention from the scientific community due to their potential applications in biosensors, electronic, optical, magnetic, electrochromic and solar cell devices, as well as in heterogeneous photocatalysis. [2][3][4][5][6][7][8][9] Additionally, 1D titanate nanostructures have also been used as support for the immobilization of myoglobin, 10 and as host for platinum oxide and lithium intercalation. 11,12 Titanate nanotubes can be prepared by hydrothermal treatment of TiO 2 powders (anatase or rutile) in aqueous NaOH solutions. 13,14 Although the preparation method is very simple, there is still a great debate in the literature related to the atomic structure and chemical composition of the nanotubes produced by this method. The exact determina...

show abstract

Origin of the visible light absorption of Co²⁺ and NH₄⁺ co‐doped hydrogen titanate nanotube thin films

An¹,

Wang³

et al. 2013

Physica Status Solidi (b)

View full text Add to dashboard Cite

Hydrogen titanate nanotube (HTNT) thin films were synthesized by hydrothermal method and then Co 2þ and NH þ 4 codoped hydrogen titanate nanotube (Co, N-HTNT) thin films were prepared by ion-exchange method. The Co, N-HTNT thin films exhibit strong absorption in the visible light range compared with the HTNT and NH þ 4 doped hydrogen titanate nanotube (N-HTNT) thin films. The first-principles calculations reveal that NH þ 4 doping has no effect on the visible light absorption of HTNTs. The red shift of Co, N-HTNTs is only due to the mixture of the Co 3d and O 2p states in the top of the valence band, which results in the band gap narrowing. Relative to HTNTs and N-HTNTs, both the valence band maximum (VBM) and conduction band minimum (CBM) of Co, N-HTNTs shift to lower potential based on the valence band XPS spectra. Furthermore, the up-shift of the VBM is much larger than that of the conduction band, which can result in band gap reduction explaining the origin of the visible light absorption of Co, N-HTNTs.

show abstract

Publisher's Note: Modification of electronic, optical, and magnetic properties of titanate nanotubes by metal intercalation [Phys. Rev. B75, 035423 (2007)]

Cited by 18 publications

References 0 publications

First-principle calculations for electronic structure and bonding properties in layered Na2Ti3O7

First-principle calculations for electronic structure and bonding properties in layered Na2Ti3O7

Interaction of sodium titanate nanotubes with organic acids and base: chemical, structural and morphological stabilities

Origin of the visible light absorption of Co²⁺ and NH₄⁺ co‐doped hydrogen titanate nanotube thin films

Contact Info

Product

Resources

About

Publisher's Note: Modification of electronic, optical, and magnetic properties of titanate nanotubes by metal intercalation [Phys. Rev. B75, 035423 (2007)]

Cited by 18 publications

References 0 publications

First-principle calculations for electronic structure and bonding properties in layered Na2Ti3O7

First-principle calculations for electronic structure and bonding properties in layered Na2Ti3O7

Interaction of sodium titanate nanotubes with organic acids and base: chemical, structural and morphological stabilities

Origin of the visible light absorption of Co2+ and NH4+ co‐doped hydrogen titanate nanotube thin films

Contact Info

Product

Resources

About

Origin of the visible light absorption of Co²⁺ and NH₄⁺ co‐doped hydrogen titanate nanotube thin films