Photocatalytic hydrogen evolution activity of Co/CoO hybrid structures: a first-principles study on the Co layer thickness effect

Park, Kyoung-Won; Kolpak, Alexie M.

doi:10.1039/c9ta04508b

Cited by 13 publications

(8 citation statements)

References 79 publications

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“…Methyl acetate was selected as the model compound for the DFT calculation because it has the same oxygen-containing functional group as methyl stearate. Based on the reported references , and characterization results, the CoO x –Co(111) model established by putting two surface oxygen atoms on the Co(111) surface was more appropriate than that based on the metal/oxygen vacancies, as shown in Figure .…”

Section: Resultsmentioning

confidence: 99%

Octadecanol Production from Methyl Stearate by Catalytic Transfer Hydrogenation over Synergistic Co/HAP Catalysts

et al. 2021

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As a potential alternative for fossil feedstocks, renewable natural oils are highly desirable for producing fuels or high added-value chemicals. Herein, catalytic transfer hydrogenation of methyl stearate to octadecanol using methanol and water as hydrogen donors was investigated over Co/ hydroxyapatite (HAP) catalysts synthesized by distinct methods. Multicharacterizations revealed that the strong interaction between Co and the HAP support of the Co/HAP catalysts could enhance the electron transferability, resulting in the excellent methyl stearate conversion (94.8%) and octadecanol selectivity (67.7%) at 290 °C in 5 h. The characterizations and density functional theory (DFT) calculations confirmed that the combined Co 0 /Co δ+ active sites could synergistically boost the generation of H 2 and the hydrogenation of methyl stearate in the methanol/water system. In addition, the effects of various reaction conditions (e.g., the amount of methanol, reaction temperature, reaction time, and catalyst loading) were investigated in detail to understand the plausible reaction pathways. The results may have guiding significance on designing catalysts for efficient conversion of fatty acid methyl esters.

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Section: Resultsmentioning

confidence: 99%

Octadecanol Production from Methyl Stearate by Catalytic Transfer Hydrogenation over Synergistic Co/HAP Catalysts

et al. 2021

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“…For the CoO (111) slab, the DFT− U method ( U eff = 4.1 eV) is adopted to minimize the self-interaction error resulted from the d electron of cobalt. 39…”

Section: Methodsmentioning

confidence: 99%

Chitosan-derived carbon supported CoO combined with CdS facilitates visible light catalytic hydrogen evolution

Guo

Yuan

Guo

et al. 2023

Catal. Sci. Technol.

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“…Thus, the carrier recombination rate is reduced and the photocatalytic efficiency is improved. [81][82][83] As shown in Figure 6, the heterojunctions of the two photocatalysts can be further classified according to their band alignment, with cross-band gap (type I), cross-band gap (type II) and gap breaking (type III) heterojunctions. In the type I heterojunction, the VB and CB of photocatalyst-I (PC-I) are lower and higher than that of photocatalyst-II (PC-II), respectively (Figure 6a).…”

Section: Coupling With Other Semiconductorsmentioning

confidence: 99%

Modification Strategies of Hexagonal Boron Nitride Nanomaterials for Photocatalysis

Liu,

Wang,

Gong

et al. 2024

The Chemical Record

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Although hexagonal boron nitride (h‐BN) was initially considered a less promising photocatalyst due to its large band gap and apparent chemical inertness, its unique two‐dimensional lamellar structure coupled with high stability and environmental friendliness, as the second largest van der Waals material after graphene, provides a unique platform for photocatalytic innovation. This review not only highlights the intrinsic qualities of h‐BN with photocatalytic potentials, such as high stability, environmental compatibility, and tunable bandgap through various modification strategies but also provides a comprehensive overview of the recent advances in h‐BN‐based nanomaterials for environmental and energy applications, as well as an in‐depth description of the modification methods and fundamental properties for these applications. In addition, we discuss the challenges and prospects of h‐BN‐based nanomaterials for future photocatalysis.

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Photocatalytic hydrogen evolution activity of Co/CoO hybrid structures: a first-principles study on the Co layer thickness effect

Cited by 13 publications

References 79 publications

Octadecanol Production from Methyl Stearate by Catalytic Transfer Hydrogenation over Synergistic Co/HAP Catalysts

Octadecanol Production from Methyl Stearate by Catalytic Transfer Hydrogenation over Synergistic Co/HAP Catalysts

Chitosan-derived carbon supported CoO combined with CdS facilitates visible light catalytic hydrogen evolution

Modification Strategies of Hexagonal Boron Nitride Nanomaterials for Photocatalysis

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