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      Self-Ordered Titanium Dioxide Nanotube Arrays: Anodic Synthesis and Their Photo/Electro-Catalytic Applications

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          Abstract

          Metal oxide nanotubes have become a widely investigated material, more specifically, self-organized titania nanotube arrays synthesized by electrochemical anodization. As a highly investigated material with a wide gamut of applications, the majority of published literature focuses on the solar-based applications of this material. The scope of this review summarizes some of the recent advances made using metal oxide nanotube arrays formed via anodization in solar-based applications. A general methodology for theoretical modeling of titania surfaces in solar applications is also presented.

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          Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

          G Kresse, J. Furthmüller (1996)
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            Toward reliable density functional methods without adjustable parameters: The PBE0 model

            Carlo Adamo, Vincenzo Barone (1999)
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              Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

              M Lazzeri, P. Giannozzi, S Baroni … (2010)
              Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave). Quantum ESPRESSO stands for "opEn Source Package for Research in Electronic Structure, Simulation, and Optimization". It is freely available to researchers around the world under the terms of the GNU General Public License. Quantum ESPRESSO builds upon newly-restructured electronic-structure codes that have been developed and tested by some of the original authors of novel electronic-structure algorithms and applied in the last twenty years by some of the leading materials modeling groups worldwide. Innovation and efficiency are still its main focus, with special attention paid to massively-parallel architectures, and a great effort being devoted to user friendliness. Quantum ESPRESSO is evolving towards a distribution of independent and inter-operable codes in the spirit of an open-source project, where researchers active in the field of electronic-structure calculations are encouraged to participate in the project by contributing their own codes or by implementing their own ideas into existing codes.
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                Author and article information

                Journal
                Journal ID (nlm-ta): Materials (Basel)
                Journal ID (iso-abbrev): Materials (Basel)
                Journal ID (publisher-id): materials
                Title: Materials
                Publisher: MDPI
                ISSN (Electronic): 1996-1944
                Publication date (Electronic): 16 July 2013
                Publication date Collection: July 2013
                Volume: 6
                Issue: 7
                Pages: 2892-2957
                Affiliations
                [1 ]Metallurgical Engineering Department, University of Utah, Salt Lake City, UT 84112, USA; E-Mails: york.smith@ 123456utah.edu (Y.R.S.); shyama.tum@ 123456gmail.com (R.S.R); krista.carlson@ 123456utah.edu (K.C.); biplabsarma@ 123456gmail.com (B.S.)
                [2 ]Chemical Engineering Department, University of Utah, Salt Lake City, UT 84112, USA
                Author notes
                [* ]Author to whom correspondence should be addressed; E-Mail: mano.misra@ 123456utah.edu ; Tel.: +1-801-581-6386; Fax: +1-801-581-4937.
                Article
                Publisher ID: materials-06-02892
                DOI: 10.3390/ma6072892
                PMC ID: 5521288
                SO-VID: 80fd7caf-c101-459d-bc9c-1ee12c591946
                Copyright © © 2013 by the authors;
                License:

                licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution license ( http://creativecommons.org/licenses/by/3.0/).

                History
                Date received : 01 March 2013
                Date revision received : 02 May 2013
                Date accepted : 05 June 2013
                Categories
                Subject: Review

                Keywords: anodization,metal oxide nanotube arrays,photoelectrochemistry,photocatalysis,density functional theory
                Data availability:
                Keywords: anodization, metal oxide nanotube arrays, photoelectrochemistry, photocatalysis, density functional theory

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