Hydrogen Spillover on Carbon-Supported Metal Catalysts Studied by Inelastic Neutron Scattering. Surface Vibrational States and Hydrogen Riding Modes

2003 ◽  
Vol 107 (28) ◽  
pp. 6838-6845 ◽  
Author(s):  
Philip C. H. Mitchell ◽  
Anibal J. Ramirez-Cuesta ◽  
Stewart F. Parker ◽  
John Tomkinson ◽  
David Thompsett
Keyword(s):  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Metal Catalysts ◽  
Hydrogen Spillover ◽  
Supported Metal Catalysts ◽  
Vibrational States ◽  
Supported Metal

scholarly journals Study of Anharmonicity in Zirconium Hydrides Using Inelastic Neutron Scattering and Ab-Initio Computer Modeling

Inorganics ◽  
2021 ◽  
Vol 9 (5) ◽  
pp. 29
Author(s):  
Jiayong Zhang ◽  
Yongqiang Cheng ◽  
Alexander I. Kolesnikov ◽  
Jerry Bernholc ◽  
Wenchang Lu ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Excited States ◽  
Lattice Dynamics ◽  
Density Functional ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Vibrational States ◽  
Functional Theory ◽  
Hydrogen Deuterium ◽  
Zirconium Hydrides

The anharmonic phonon behavior in zirconium hydrides and deuterides, including ϵ-ZrH2, γ-ZrH, and γ-ZrD, has been investigated from aspects of inelastic neutron scattering (INS) and lattice dynamics calculations within the framework of density functional theory (DFT). The harmonic model failed to reproduce the spectral features observed in the experimental data, indicating the existence of anharmonicity in those materials and the necessity of further explanations. Here, we present a detailed study on the anharmonicity in zirconium hydrides/deuterides by exploring the 2D potential energy surface of hydrogen/deuterium atoms and solving the corresponding 2D single-particle Schrödinger equation to obtain the eigenfrequencies, which are then convoluted with the instrument resolution. The convoluted INS spectra qualitatively describe the anharmonic peaks in the experimental INS spectra and demonstrate that the anharmonicity originates from the deviations of hydrogen potentials from quadratic behavior in certain directions; the effects are apparent for the higher-order excited vibrational states, but small for the ground and first excited states.

Hydrogen Spillover Effect of Pt-Doped Activated Carbon Studied by Inelastic Neutron Scattering

2011 ◽  
Vol 2 (18) ◽  
pp. 2322-2325 ◽  
Author(s):  
Cheng-Si Tsao ◽  
Yun Liu ◽  
Haw-Yeu Chuang ◽  
Huan-Hsiung Tseng ◽  
Tsan-Yao Chen ◽  
...  
Keyword(s):  
Activated Carbon ◽  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Spillover Effect ◽  
Inelastic Neutron ◽  
Hydrogen Spillover

Low-lying vibrational states in superconducting κ-(BEDT-TTF)2Cu(NCS)2: Inelastic neutron scattering

1997 ◽  
Vol 86 (1-3) ◽  
pp. 2009-2010 ◽  
Author(s):  
N. Toyota ◽  
T. Shimazu ◽  
T. Sasaki ◽  
K. Shibata ◽  
T. Kajitani ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Vibrational States

scholarly journals Boosting selective hydrogenation through hydrogen spillover on supported-metal catalysts at room temperature

2021 ◽  
Author(s):  
Sai Zhang ◽  
Zhaoming Xia ◽  
Mingkai Zhang ◽  
Yong Zou ◽  
Xiao Chen ◽  
...  
Keyword(s):  
Low Temperatures ◽  
Active Sites ◽  
Room Temperature ◽  
Metal Catalysts ◽  
Hydrogen Spillover ◽  
Binding Energies ◽  
Supported Metal Catalysts ◽  
High Turnover ◽  
Scaling Relationship ◽  
Supported Metal

Highly efficient hydrogenation of unsaturated substrates with strong absorption on metals at low temperatures is a long-term pursuit. However, due to the scaling relationship of high binding energies on metals, the poor activity and/or selectivity are frequently observed. Herein, we described a strategy of hydrogen spillover to break this scaling relationship to enable highly performed hydrogenation at low temperatures by constructing the dual-active site in supported-metal catalysts. Hydrogen and reactants are selectively activated on metal and the second active sites on support, respectively. Hydrogenation sequentially occurs on the second active sites via hydrogen spillover from metal to support. Easy desorption of surface-bounded products substantially re-generates the active sites. Guided by this design, for cinnamaldehyde hydrogenation, PtCo alloys (for H2 dissociation) supported on hydroxyl-abundant CoBOx (for aldehyde activation) delivered a high turnover frequency of 2479 h-1 (two orders of magnitude over PtCo/C) and 94.5% selectivity of cinnamyl alcohol at room temperature.

Density of vibrational states of thiol capped CdS particles. Inelastic neutron scattering

1994 ◽  
Vol 198 (1-3) ◽  
pp. 197-199 ◽  
Author(s):  
I. Markichev ◽  
E. Sheka ◽  
I. Natkaniec ◽  
A. Muzychka ◽  
V. Khavryutchenko ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Inelastic Neutron Scattering ◽  
Inelastic Neutron ◽  
Vibrational States
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