Cobalt oxide as photocatalyst for water splitting: Temperature-dependent phase structures

Moridon, Siti Nurul Falaein; Salehmin, Mohd Ikhmal; Mohamed, Mohamad Azuwa; Arifin, Khuzaimah; Minggu, Lorna Jeffery; Kassim, Mohammad B.

doi:10.1016/j.ijhydene.2019.08.075

Cited by 43 publications

(12 citation statements)

References 32 publications

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“…The different alpha and beta phases may confirm the magnetic properties of CoO. The spin orbital interactions calculation shows that CoO has indirect and direct bandgaps, which are 0.23 and 1.55 eV, respectively, which are similar to the reported experimental bandgap [22]. The CoO (100) and CoO (110) surfaces were created from the 2x2x2 optimized bulk structure.…”

Section: Results and Discussion 31 Optimization Of Coo And H2o Strusupporting

confidence: 63%

Density Functional Theory Study of Water Adsorption on the CoO (100) and CoO (110) Surfaces

Azemi

Arifin

Yunus³

et al. 2019

IJIE

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In this study, density functional theory was used to identify the optimum adsorption sites of H2O molecule on the CoO(100) and CoO(110) surfaces. The adsorption of H2O molecule is the first step in water molecule splitting on a catalytic surface. CoO bulk crystals were optimised by using generalised gradient approximation-Perdew-Burke-Ernzerhof functional methods through spin orbital interaction calculations. Band structure calculation results show that the indirect and direct bandgaps are 0.23 and 1.6 eV, respectively, which are similar to the reported experimental bandgap. The CoO(100) and CoO(110) surfaces were created from the optimised bulk structure. The CoO(100) surface contains 13 atoms Co vacancy, whereas the CoO(110) surface contains 15 atoms Co vacancy on the top layer surfaces. The adsorption energy of H2O on the CoO(100) and CoO(110) surfaces was calculated on the basis of eight configurations. The optimum adsorption energy (5.123 eV) of H2O on the CoO(100) surface is in Model 5. Meanwhile, the optimum adsorption energy (2.810 eV) of H 2O on the CoO (110) surface is in Model 6. This result indicates that H2O is easier to absorb on CoO(110) than on CoO(100), and agree to the experiment result reported.

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Section: Results and Discussion 31 Optimization Of Coo And H2o Strusupporting

confidence: 63%

Density Functional Theory Study of Water Adsorption on the CoO (100) and CoO (110) Surfaces

Azemi

Arifin

Yunus³

et al. 2019

IJIE

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“…The first mode (Ag) located at 286 cm −1 is due to in-phase /out phase rotation [38]. The second and third modes are associated with B1g at 333 cm −1 , and B2g at 617 cm −1 are attributed to bending of CuO, and the symmetric stretching of oxygen, respectively [39,40]. For the sample of Ag/CuO.…”

Section: Raman Studiesmentioning

confidence: 99%

Study the influence of silver and cobalt on the photocatalytic activity of copper oxide nanoparticles for the degradation of methyl orange and real wastewater dyes

Zeid

Ibrahem

Mohamed

et al. 2020

Mater. Res. Express

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CuO (S1) Single pure component nanoparticles (SPCNPs), Ag/CuO (S2) binary component hybrid nanoparticles (BCHNPS), Co1/Ag/CuO (S3), and Co2/Ag/CuO (S4) ternary component hybrid nanoparticles (TCHNPS) were synthesized via co-precipitation method. Several spectroscopic methods investigated the characterization of the prepared catalysts. Based on Crystal properties, CuO exhibit a monoclinic phase (tenorite); the grain size of the prepared samples was 28.15 nm, 29.42 nm, 27.86 nm, and 26.67 nm for S1, S2, S3, and S4 respectively. The addition of different content from Co as a dopant to silver decorated CuO gives a clear change to a flake shape. The presence of the IR absorption peaks in the region 400-600 cm −1 matched to the distinctive stretching vibrations of Cu-O bonds in the monoclinic phase structure of CuO. Disappearance of the Raman peaks of CuO and appearing of the new characteristic peaks of cobalt oxide confirms the doping process. Using DRS analysis, arrange of the bandgap values were S1 > S2 > S3 > S4. For the synthetic methyl orange and raw industrial dye, the photodegradation parameters were measured. The results show the excellent activity of Co2/Ag/CuO NPS compared with other samples. Electrical studies of the catalysts show a higher value for the dielectric constant in the higher and lower frequency regions for the sample S4. The hopping process of the charge carrier's improving as a result of the increase of applied field frequency which leads to an increase in the material conductivity.

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“…chemically stable in both acidic and alkaline electrolytes, and has an appropriate energy gap between 1.5 eV and 2.6 eV [33]. Co3O4 was reported as an effective oxygen evolution reaction (OER) catalyst for the PEC water splitting process by Zhang et al [34].…”

Section: Introductionmentioning

confidence: 99%

“…The performance of cobaltosic oxide in the PEC water splitting process is still limited for several reasons. First, the indirect optical bandgap of Co3O4 is theoretically inappropriate for the use of light absorption applications [33]. Second, an additional bias voltage is required to separate the charge carriers [36].…”

Section: Introductionmentioning

confidence: 99%

Outstanding stability and photoelectrochemical catalytic performance of (Fe, Ni) co-doped Co3O4 photoelectrodes for solar hydrogen production

Abdelmoneim

Naji

Wagenaars

et al. 2021

International Journal of Hydrogen Energy

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Cobalt oxide as photocatalyst for water splitting: Temperature-dependent phase structures

Cited by 43 publications

References 32 publications

Density Functional Theory Study of Water Adsorption on the CoO (100) and CoO (110) Surfaces

Density Functional Theory Study of Water Adsorption on the CoO (100) and CoO (110) Surfaces

Study the influence of silver and cobalt on the photocatalytic activity of copper oxide nanoparticles for the degradation of methyl orange and real wastewater dyes

Outstanding stability and photoelectrochemical catalytic performance of (Fe, Ni) co-doped Co3O4 photoelectrodes for solar hydrogen production

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