First-Principles Investigations of the Temperature Dependence of Electronic Structure and Optical Properties of Rutile TiO2-Reference-Cited by-同舟云学术

First-Principles Investigations of the Temperature Dependence of Electronic Structure and Optical Properties of Rutile TiO2

Published:2018-09-11 Issue:39 Volume:122 Page:22642-22649
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Wu Yu-Ning¹,Saidi Wissam A.²^ORCID,Ohodnicki Paul¹,Chorpening Benjamin¹,Duan Yuhua¹^ORCID

Affiliation:

1. National Energy Technology Laboratory, United States Department of Energy, Pittsburgh, Pennsylvania 15236, United States

2. Department of Mechanical Engineering and Materials Science, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, United States

Funder

Office of Fossil Energy

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.8b06941

Reference59 articles.

1. Fuel Cell Handbook. Fuel Cell Handbook; DOE-NETL, 2004. https://www.netl.doe.gov/File%20Library/research/coal/energy%20systems/fuel%20cells/FCHandbook7.pdf.

2. Romanosky, R. R.; Maley, S. M. Harsh Environment Sensor Development for Advanced Energy Systems, Micro- and Nanotechnology Sensors, Systems, and Applications V; International Society for Optics and Photonics, 2013; p 87250H.

3. High temperature optical sensing of gas and temperature using Au-nanoparticle incorporated oxides

4. Optical hydrogen sensitivity of noble metal–tungsten oxide composite films prepared by sputtering deposition

5. In-situ and ex-situ characterization of TiO2 and Au nanoparticle incorporated TiO2 thin films for optical gas sensing at extreme temperatures

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