{"title":"First principles study of optical properties of Ni- and Pd-doped TiO2 as visible light catalyst","authors":"A. Angeline Dorothy, Puspamitra Panigrahi","doi":"10.1007/s40243-023-00228-5","DOIUrl":null,"url":null,"abstract":"<div><p>Doping TiO<sub>2</sub> with noble metals, transition metals, cations, anions have yielded very promising results in enhancing photocatalytic activity of TiO<sub>2</sub> in the visible region and its role in generating alternate forms of energy. Noble metals in general can effectively slow down carrier recombination. However, the study of Pd and Ni as dopant can lead to a reliable and versatile TiO<sub>2</sub>-modified photocatalyst. In this paper, we explore the optical properties of Pd- and Ni-doped TiO<sub>2</sub> by doping with 4.17% Ni and Pd dopant concentrations. The optical properties prove that Ni-doped TiO<sub>2</sub> can absorb well in the visible region with an absorption coefficient of 1 × 10<sup>5</sup> cm<sup>−1</sup>. Hence, Ni-doped TiO<sub>2</sub> can successfully alter the electronic and optical properties of TiO<sub>2</sub> for favorable future applications. In the visible region, absorption coefficient of Pd-doped TiO<sub>2</sub> supercell is around 1.2 × 10<sup>5</sup> cm<sup>−1</sup> which is comparatively greater than that of pure TiO<sub>2</sub> confirming its utility as a versatile and viable visible light photocatalyst. The other optical properties like reflectivity, refractivity, extinction coefficient and electron energy loss spectrum have also been studied.\n</p></div>","PeriodicalId":692,"journal":{"name":"Materials for Renewable and Sustainable Energy","volume":"12 1","pages":"47 - 52"},"PeriodicalIF":3.6000,"publicationDate":"2023-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s40243-023-00228-5.pdf","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Materials for Renewable and Sustainable Energy","FirstCategoryId":"1085","ListUrlMain":"https://link.springer.com/article/10.1007/s40243-023-00228-5","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Doping TiO2 with noble metals, transition metals, cations, anions have yielded very promising results in enhancing photocatalytic activity of TiO2 in the visible region and its role in generating alternate forms of energy. Noble metals in general can effectively slow down carrier recombination. However, the study of Pd and Ni as dopant can lead to a reliable and versatile TiO2-modified photocatalyst. In this paper, we explore the optical properties of Pd- and Ni-doped TiO2 by doping with 4.17% Ni and Pd dopant concentrations. The optical properties prove that Ni-doped TiO2 can absorb well in the visible region with an absorption coefficient of 1 × 105 cm−1. Hence, Ni-doped TiO2 can successfully alter the electronic and optical properties of TiO2 for favorable future applications. In the visible region, absorption coefficient of Pd-doped TiO2 supercell is around 1.2 × 105 cm−1 which is comparatively greater than that of pure TiO2 confirming its utility as a versatile and viable visible light photocatalyst. The other optical properties like reflectivity, refractivity, extinction coefficient and electron energy loss spectrum have also been studied.
期刊介绍：
Energy is the single most valuable resource for human activity and the basis for all human progress. Materials play a key role in enabling technologies that can offer promising solutions to achieve renewable and sustainable energy pathways for the future.
Materials for Renewable and Sustainable Energy has been established to be the world''s foremost interdisciplinary forum for publication of research on all aspects of the study of materials for the deployment of renewable and sustainable energy technologies. The journal covers experimental and theoretical aspects of materials and prototype devices for sustainable energy conversion, storage, and saving, together with materials needed for renewable fuel production. It publishes reviews, original research articles, rapid communications, and perspectives. All manuscripts are peer-reviewed for scientific quality.
Topics include:
1. MATERIALS for renewable energy storage and conversion: Batteries, Supercapacitors, Fuel cells, Hydrogen storage, and Photovoltaics and solar cells.
2. MATERIALS for renewable and sustainable fuel production: Hydrogen production and fuel generation from renewables (catalysis), Solar-driven reactions to hydrogen and fuels from renewables (photocatalysis), Biofuels, and Carbon dioxide sequestration and conversion.
3. MATERIALS for energy saving: Thermoelectrics, Novel illumination sources for efficient lighting, and Energy saving in buildings.
4. MATERIALS modeling and theoretical aspects.
5. Advanced characterization techniques of MATERIALS
Materials for Renewable and Sustainable Energy is committed to upholding the integrity of the scientific record. As a member of the Committee on Publication Ethics (COPE) the journal will follow the COPE guidelines on how to deal with potential acts of misconduct. Authors should refrain from misrepresenting research results which could damage the trust in the journal and ultimately the entire scientific endeavor. Maintaining integrity of the research and its presentation can be achieved by following the rules of good scientific practice as detailed here: https://www.springer.com/us/editorial-policies
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