Adsorption of nitrogen dioxide on rutile titanium dioxide nanostructures: DFT investigation

V. Nagarajan; Anurag Srivastava; R. Chandiramouli

doi:10.1016/j.matpr.2021.08.178

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Adsorption of nitrogen dioxide on rutile titanium dioxide nanostructures: DFT investigation

V. Nagarajan Anurag Srivastava R. Chandiramouli

Year: 2021 Journal: Materials Today Proceedings Vol: 47 Pages: 6429-6440 Publisher: Elsevier BV

DOI: 10.1016/j.matpr.2021.08.178

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Keywords:

Rutile Materials science Nanostructure Adsorption Mulliken population analysis Titanium dioxide HOMO/LUMO Chemical physics Band gap Density functional theory Physical chemistry Computational chemistry Nanotechnology Chemical engineering Chemistry Organic chemistry Molecule Metallurgy

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Gas Sensing Nanomaterials and Sensors

Physical Sciences → Engineering → Electrical and Electronic Engineering

Catalytic Processes in Materials Science

Physical Sciences → Materials Science → Materials Chemistry

ZnO doping and properties

Physical Sciences → Materials Science → Materials Chemistry

Adsorption of nitrogen dioxide on rutile titanium dioxide nanostructures: DFT investigation

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