Electronic Structure, Morphological Aspects, Optical and Electrochemical Properties of RuO2 Nanocrystals

R. C. Silva; A. F. Gouveia; J. C. Sczancoski; R. S. Santos; J. L. S. Sá; E. Longo; L. S. Cavalcante

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자료유형: 학술저널

저자정보: R. C. Silva (Universidade Estadual do Piauí) A. F. Gouveia (Universidade Estadual do Piauí) J. C. Sczancoski (Universidade Federal de São Carlos) R. S. Santos (Universidade Estadual do Piauí) J. L. S. Sá (Universidade Estadual do Piauí) E. Longo (Universidade Estadual Paulista) L. S. Cavalcante (Universidade Estadual do Piauí)

저널정보: 대한금속·재료학회 Electronic Materials Letters Electronic Materials Letters Vol.15 No.5

발행연도: 2019.1

수록면: 645 - 653 (9page)

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This letter reports the synthesis of RuO2nanocrystals by the anionic surfactant-assisted hydrothermal method at 90 °C for24 h followed by heat treatment at 500 °C for 1 h. These crystals were structurally characterized by means of X-ray diffraction(XRD) and Rietveld refinement analysis. Field emission scanning electron microscopy (FE-SEM) was employed to observethe morphological features these crystals. The optical behavior was investigated by ultraviolet–visible (UV–Vis) spectroscopy. First-principles quantum mechanical calculations based on the density functional theory at the B3LYP level wereemployed to obtain the electronic band structure and density of states. For electrochemical behavior, the supercapacitorproperties of RuO2crystals were investigated by cyclic voltammetry. XRD patterns and Rietveld refinement data indicatethat RuO2crystals have a rutile-type tetragonal structure. FE-SEM images showed the presence of sphere-like RuO2crystalswith an average crystal sized at around 19.13 nm. The experimental band gap energy (Egap[exp]) was estimated at 2.60 eV byusing UV–Vis spectroscopy, while the theoretical calculations indicate an Egap[theo] at 1.92 eV. These calculations revealed aband structure predominantly composed of O 2p orbitals (valence band) and Ru 4d orbitals (conduction band). The specificcapacitance measured for RuO2film was 193 F g−1 at 5 mV s−1 in an electrode with 0.5 mg of electroactive material in 1 MNa2SO4solution.

#RuO2 · Nanocrystals · Rietveld refinement · Optical band gap · Band structure · Capacitance

참고문헌 (74)

참고문헌 신청

Vorontsov, A. V. / 2018 / Correlation of surface area with photocatalytic activity of TiO2 / J. Adv. Oxid. Technol 21:127~137

Lam, S. -M. / 2018 / Influence of PVP surfactant on the morphology and properties of ZnO micro/nanofl owers for dye mixtures and textile wastewater degradation / Mater. Chem. Phys 212:35~43

Costa, M. J. S. / 2018 / Investigation of charge recombination lifetime in γ-WO3 films modifi ed with Ag0 and Pt0 nanoparticles and its influence on photocurrent density / Ionics 24:3291~3297

Reddy, C. V. / 2018 / Synthesis and characterization of pure tetragonal ZrO2 nanoparticles with enhanced photocatalytic activity / Ceram. Int 44:6940~6948

Subramanian, V. / 2004 / Mesoporous anhydrous RuO2 as a supercapacitor electrode material / Solid State Ion 175:511~515

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