Nanostructured oxides in chemistry: characterization and properties.

TL;DR: A comprehensive review of recent synthetic methods along with associated synthesis mechanisms, characterization, fundamental properties, and promising applications of Cupric oxide (CuO) nanostructures is presented in this article.

...read moreread less

Journal ArticleDOI

Is the Band Gap of Pristine TiO2 Narrowed by Anion- and Cation-Doping of Titanium Dioxide in Second-Generation Photocatalysts?

Nick Serpone

- 07 Nov 2006 -

Journal of Physical Chemistry B

TL;DR: It is argued that the red-shift of the absorption edge is in fact due to formation of the color centers, and that while band gap narrowing is not an unknown occurrence in semiconductor physics it does necessitate heavy doping of the metal oxide semiconductor, thereby producing materials that may have completely different chemical compositions from that of TiO(2) with totally different band gap electronic structures.

...read moreread less

Journal ArticleDOI

One-dimensional titanium dioxide nanomaterials: nanotubes.

Kiyoung Lee, +2 more

- 14 Aug 2014 -

Chemical Reviews

TL;DR: The present review tries to give a comprehensive and most up to date view to the field, with an emphasis on the currently most investigated anodic TiO2 nanotube arrays.

...read moreread less

Journal ArticleDOI

Effect of aspect ratio and surface defects on the photocatalytic activity of ZnO nanorods

Xinyu Zhang, +6 more

- 01 May 2015 -

Scientific Reports

TL;DR: The fabrication of different aspect ratios of the ZnO nanorods with surface defects by mechanical-assisted thermal decomposition method revealed that Zn O nanorod with higher aspect ratio and surface defects show significantly higher photocatalytic performances.

...read moreread less

Collapse

References

PDF

Open Access

More filters

Journal ArticleDOI

Generalized Gradient Approximation Made Simple

John P. Perdew, +2 more

- 28 Oct 1996 -

Physical Review Letters

TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.

...read moreread less

Journal ArticleDOI

Density‐functional thermochemistry. III. The role of exact exchange

Axel D. Becke

- 01 Apr 1993 -

Journal of Chemical Physics

TL;DR: In this article, a semi-empirical exchange correlation functional with local spin density, gradient, and exact exchange terms was proposed. But this functional performed significantly better than previous functionals with gradient corrections only, and fits experimental atomization energies with an impressively small average absolute deviation of 2.4 kcal/mol.

...read moreread less

Journal ArticleDOI

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, +2 more

- 15 Jan 1988 -

Physical Review B

TL;DR: Numerical calculations on a number of atoms, positive ions, and molecules, of both open- and closed-shell type, show that density-functional formulas for the correlation energy and correlation potential give correlation energies within a few percent.

...read moreread less

Journal ArticleDOI

Self-Consistent Equations Including Exchange and Correlation Effects

Walter Kohn, +1 more

- 15 Nov 1965 -

Physical Review

TL;DR: In this paper, the Hartree and Hartree-Fock equations are applied to a uniform electron gas, where the exchange and correlation portions of the chemical potential of the gas are used as additional effective potentials.

...read moreread less

Journal ArticleDOI

Density-functional exchange-energy approximation with correct asymptotic behavior.

Axel D. Becke

- 15 Sep 1988 -

Physical Review A

TL;DR: This work reports a gradient-corrected exchange-energy functional, containing only one parameter, that fits the exact Hartree-Fock exchange energies of a wide variety of atomic systems with remarkable accuracy, surpassing the performance of previous functionals containing two parameters or more.

...read moreread less