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   Articles with "hydrogen dissociation" as a keyword



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Tuning hydrogen dissociation behavior of magnesium borohydride (100) surface by transition metal and nonmetal co-substitution

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recommendations! Published in 2018 at "Materials today communications"

DOI: 10.1016/j.mtcomm.2018.03.013

Abstract: Abstract The influences of transition metal Ni and nonmetal N co-substitution for partial metal Mg and nonmetal B elements on the hydrogen dissociation behavior of Mg(BH4)2 (100) surface are investigated using the first-principles calculations in… read more here.

Keywords: substitution; metal nonmetal; 100 surface; hydrogen dissociation ... See more keywords
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Transition Metal-Doped C20 Fullerene-Based Single-Atom Catalysts with High Catalytic Activity for Hydrogen Dissociation Reaction

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recommendations! Published in 2023 at "ACS Omega"

DOI: 10.1021/acsomega.3c00721

Abstract: Hydrogen dissociation is a key step in almost all hydrogenation reactions; therefore, an efficient and cost-effective catalyst with a favorable band structure for this step is highly desirable. In the current work, transition metal-based C20… read more here.

Keywords: dissociation; dissociation reaction; c20; hydrogen dissociation ... See more keywords
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Facilitating Hydrogen Dissociation over Dilute Nanoporous Ti-Cu Catalysts.

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recommendations! Published in 2022 at "Journal of the American Chemical Society"

DOI: 10.1021/jacs.2c00830

Abstract: The dissociation of H2 is an essential elementary step in many industrial chemical transformations, typically requiring precious metals. Here, we report a hierarchical nanoporous Cu catalyst doped with small amounts of Ti (npTiCu) that increases… read more here.

Keywords: spectroscopy; exchange; facilitating hydrogen; rate ... See more keywords
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Hydrogen Dissociation Reaction on First-Row Transition Metal Doped Nanobelts

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recommendations! Published in 2023 at "Materials"

DOI: 10.3390/ma16072792

Abstract: Zigzag molecular nanobelts have recently captured the interest of scientists because of their appealing aesthetic structures, intriguing chemical reactivities, and tantalizing features. In the current study, first-row transition metals supported on an H6-N3-belt[6]arene nanobelt are… read more here.

Keywords: first row; dissociation; reaction; hydrogen dissociation ... See more keywords