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   Articles with "hydrogen dissociation" as a keyword



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

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

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

Study on hydrogen desorption of ZrCoH3 promoted by doping Hf and Ti with DFT

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recommendations! Published in 2024 at "AIP Advances"

DOI: 10.1063/5.0203709

Abstract: This work aims to provide new insights into the hydrogen evolution of ZrCoH3. The transition metal elements Hf and Ti are designed to be added to ZrCoH3 by occupying Co atoms, Zr atoms, and interstitial… read more here.

Keywords: energy; hydrogen desorption; zrcoh3; hydrogen dissociation ... See more keywords

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