Correlating C═C, C═O, and C═N Hydrogenation Activity with Hydrogen Binding Energies on Ni–Fe Bimetallic Catalysts

Low dimensions for hydrogen storage media: exceeding U.S. DOE uptake target on Li-functionalized carbyne with hydrogen binding energies needed for good cyclability.

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Silicon-Hydrogen Bonds in Boron and Phosphorous Doped Polycrystalline Silicon Thin Films

MRS Proceedings ◽

10.1557/proc-808-a4.4 ◽

2004 ◽

Vol 808 ◽

Cited By ~ 1

Author(s):

R. Saleh ◽

N. H. Nickel

Keyword(s):

Binding Energy ◽

Polycrystalline Silicon ◽

Binding Energies ◽

Vibration Modes ◽

Laser Crystallization ◽

Hydrogen Binding ◽

Local Vibration ◽

Silicon Thin Films ◽

The One ◽

Hydrogen Effusion

ABSTRACTHydrogen bonding in laser crystallized boron and phosphorous doped polycrystalline silicon is investigated using Raman spectroscopy and hydrogen effusion measurements. During laser crystallization the intensity of the local vibration modes near 2000 and 2100 cm−1 decreases. The intensity of vibration mode at 2000 cm−1 decreases faster than the one at 2100 cm−1. From H effusion measurements, the hydrogen density-of-states (H DOS) distribution is derived. For undoped amorphous silicon the H DOS exhibits two prominent peaks at hydrogen binding energies of E– μH = –1.1 and –1.5 eV. In B doped a-Si:H the peak at –1.1 eV is less pronounced while in P doped a-Si:H the H binding energy increases by about 0.1 eV. In all samples laser crystallization causes an increase of the H binding energy by about 0.2 – 0.3 eV. However, the peaks in the H DOS observed in B-doped samples are preserved during laser crystallization.

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Rational Design of Platinum-Based Bimetallic Catalysts with Enhanced Hydrogenation Activity

ChemPhysChem ◽

10.1002/cphc.200800139 ◽

2008 ◽

Vol 9 (9) ◽

pp. 1262-1264 ◽

Cited By ~ 16

Author(s):

Michael P. Humbert ◽

Luis E. Murillo ◽

Jingguang G. Chen

Keyword(s):

Bimetallic Catalysts ◽

Rational Design ◽

Hydrogenation Activity

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The effect of co-adsorbed solvent molecules on H2 binding to metal alkoxides

Physical Chemistry Chemical Physics ◽

10.1039/c9cp00754g ◽

2019 ◽

Vol 21 (18) ◽

pp. 9218-9224

Author(s):

Yamil J. Colón ◽

Randall Q. Snurr

Keyword(s):

Binding Energies ◽

Quantum Mechanical ◽

Metal Alkoxides ◽

Quantum Mechanical Calculations ◽

Hydrogen Binding ◽

Solvent Molecules

Quantum mechanical calculations provide insights into interactions between solvent molecules and metal alkoxides and resulting hydrogen binding energies.

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DFT Calculations of Hydrogen Adsorption inside Single-Walled Carbon Nanotubes

Advances in Materials Science and Engineering ◽

10.1155/2018/9876015 ◽

2018 ◽

Vol 2018 ◽

pp. 1-6 ◽

Cited By ~ 3

Author(s):

Igor K. Petrushenko

Keyword(s):

Carbon Nanotubes ◽

Dft Calculations ◽

Hydrogen Molecule ◽

Hydrogen Adsorption ◽

Single Walled Carbon Nanotubes ◽

Binding Energies ◽

Hydrogen Binding ◽

Single Walled Carbon ◽

Hydrogen Molecules ◽

Walled Carbon Nanotubes

DFT calculations have been performed to study noncovalent interactions of a hydrogen molecule and single-walled carbon nanotubes (SWCNTs) of various diameters. Understanding these interactions is crucial for the development of systems for hydrogen storage and delivery. The barrier and barrier-free introduction of a hydrogen molecule into SWCNTs is observed. It has been found that hydrogen molecules bind differently onto SWCNTs, depending on their diameters and the orientation of an H2 molecule inside the SWCNT. The binding inside SWCNTs with small diameters ((3,3); (4,4)) is very unfavorable; the opposite situation is in the case of larger ((5,5); (6,6)) SWCNTs. Finally, in the case of ((7,7); (8,8)) SWCNTs, the hydrogen binding energies decrease, and their values approach to those of graphene.

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The effect of impregnation sequence on the hydrogenation activity and selectivity of supported Pt/Ni bimetallic catalysts

Applied Catalysis A General ◽

10.1016/j.apcata.2008.01.024 ◽

2008 ◽

Vol 339 (2) ◽

pp. 169-179 ◽

Cited By ~ 37

Author(s):

Yuying Shu ◽

Luis E. Murillo ◽

Jeffrey P. Bosco ◽

Wei Huang ◽

Anatoly I. Frenkel ◽

...

Keyword(s):

Bimetallic Catalysts ◽

Hydrogenation Activity

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Renewable Cyclopentanol From Catalytic Hydrogenation-Rearrangement of Biomass Furfural Over Ruthenium-Molybdenum Bimetallic Catalysts

Frontiers in Bioengineering and Biotechnology ◽

10.3389/fbioe.2020.615235 ◽

2020 ◽

Vol 8 ◽

Author(s):

Shihang Meng ◽

Yujing Weng ◽

Xiaolong Wang ◽

Hongxing Yin ◽

Zhenfei Wang ◽

...

Keyword(s):

Catalytic Hydrogenation ◽

Selective Hydrogenation ◽

Bimetallic Catalysts ◽

Bimetallic Catalyst ◽

Catalytic Performance ◽

Fine Chemicals ◽

Product Selectivity ◽

Rearrangement Product ◽

Hydrogenation Activity ◽

Rearrangement Reaction

Biomass furfural-like compounds are chemicals that cannot be extracted from fossil materials, through which a large number of fine chemicals and fuel additives can be opened up, but one big efficiency problem during the transformation is the accumulation of oligomers. Here, we propose a novel and efficient Ru-Mo bimetallic catalyst for selective hydrogenation-rearrangement of furfural-like compounds. The result showed that an unprecedented rearrangement product selectivity of 89.1% to cyclopentanol was achieved under an optimized reaction condition over a 1%Ru−2.5%Mo/CNT catalyst reduced at 600°C. Subsequent characterization suggested that the catalyst presented with weak acidity and strong hydrogenation activity for the reaction, which not only ensures the smooth hydrogenation-rearrangement reaction but also inhibits the accumulation of furan polymers. These findings provide a convenient strategy to tune the catalytic performance of Mo-based catalysts by controlling the reduction and carburization conditions, which appear to be versatile for the rearrangement of furans and similar compounds.

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