Intermetallic Compounds as Catalysts in the Reaction of Electroevolution/Absorption of Hydrogen

Łosiewicz, B.; Popczyk, Magdalena; Napłoszek, Iwona; Budniok, A.

doi:10.4028/www.scientific.net/ssp.228.16

Cited by 6 publications

(3 citation statements)

References 25 publications

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“…Therefore, the electron and hole are easily formed in normal conditions. As per previous reports, the work function of metal can be understood by the "activity descriptors" [32]. Thus, Pt with the work function of ~5.5 eV seems to be the best element to effectively perform HER [24].…”

Section: Fundamentalssupporting

confidence: 57%

Single-Atom Transition Metal Photocatalysts for Hydrogen Evolution Reactions

Nguyen

Kim

2022

Catalysts

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Hydrogen is one of the potential fuels that is easily stored in ammonia compounds and reacts with oxygen in an environmentally friendly manner, producing water and transferring a significant amount of heat for powering mechanical facilities or transportation. Recently, single-atom photocatalysts have attracted significant attention owing to their ability to produce clean fuels or reduce gaseous pollution, thereby contributing to the preservation of our planet. Utilizing metals composed of a single atom on a semiconductor platform can improve the active sites, thereby increasing the efficiency of the hydrogen evolution reaction. This review focuses on the use of single-atom transition metals as photocatalysts in a solar-powered water-splitting system that produces hydrogen gas. The approach to synthesis, reaction mechanism, and current performance of these materials is exhaustively discussed. In addition, the main challenges and improvement strategies are highlighted.

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Section: Fundamentalssupporting

confidence: 57%

Single-Atom Transition Metal Photocatalysts for Hydrogen Evolution Reactions

Nguyen

Kim

2022

Catalysts

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“…The work function (Φ) indicates the minimum energy necessary to move an electron from the highest occupied band into the vacuum. Losiewicz et al investigated the catalytic activity of different metals in the hydrogen electroevolution exchange current using the work function as an activity descriptor proving that the catalytic activity is a periodic function of their atomic numbers [59]. Likewise, Shen et al used Φ as an additional descriptor along with the d-band centre to improve the predicting accuracy and to understand the catalytic properties in oxygen reduction reactions [60].…”

Section: Scheme 1 Hydrodeoxygenation (Hdo) Reaction Scheme Of Guaiacol To Benzene Water and Methanolmentioning

confidence: 99%

Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors

Morteo-Flores

Engel

Roldán

2020

Phil. Trans. R. Soc. A.

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Circular economy emphasizes the idea of transforming products involving economic growth and improving the ecological system to reduce the negative consequences caused by the excessive use of raw materials. This can be achieved with the use of second-generation biomass that converts industrial and agricultural wastes into bulk chemicals. The use of catalytic processes is essential to achieve a viable upgrade of biofuels from the lignocellulosic biomass. We carried out density functional theory calculations to explore the relationship between 13 transition metals (TMs) properties, as catalysts, and their affinity for hydrogen and oxygen, as key species in the valourization of biomass. The relation of these parameters will define the trends of the hydrodeoxygenation (HDO) process on biomass-derived compounds. We found the hydrogen and oxygen adsorption energies in the most stable site have a linear relation with electronic properties of these metals that will rationalize the surface's ability to bind the biomass-derived compounds and break the C–O bonds. This will accelerate the catalyst innovation for low temperature and efficient HDO processes on biomass derivates, e.g. guaiacol and anisole, among others. Among the monometallic catalysts explored, the scaling relationship pointed out that Ni has a promising balance between hydrogen and oxygen affinities according to the d -band centre and d -band width models. The comparison of the calculated descriptors to the adsorption strength of guaiacol on the investigated surfaces indicates that the d -band properties alone are not best suited to describe the trend. Instead, we found that a linear combination of work function and d -band properties gives significantly better correlation. This article is part of a discussion meeting issue ‘Science to enable the circular economy’.

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“…Periodic table of the elements showing the formation enthalpy of binary M-H Metal hydrides, and the relative classification of A (in red)or B-type (in blue) M elements. Formation enthalpy was chosen from literature values [60,206,207,234,235].…”

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confidence: 99%