Cooperative physisorption and chemisorption of hydrogen on vanadium-decorated benzene
نویسندگان
چکیده
منابع مشابه
Chemisorption sites of CO on small gold clusters and transitions from chemisorption to physisorption.
Gold clusters adsorbed with CO, Au(m)(CO)(n) (-) (m=2-5; n=0-7), were studied by photoelectron spectroscopy (PES). The first few CO adsorptions were observed to induce significant redshifts to the PES spectra relative to pure gold clusters. For each Au cluster, a critical CO number (n(c)) was observed, beyond which the PES spectra of Au(m)(CO)(n) (-) change very little with increasing n. n(c) w...
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This project aims to develop new porous hydrogen storage materials which utilize molecular chemisorption of hydrogen rather than mere physisorption, and ultimately do this in low weight hybrid materials. Stronger binding of hydrogen should result in greater capacity and lower operating pressures at room temperature. These studies should lead to the design and synthesis of hydrogen storage mater...
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We report on the size-dependent interaction of carbon monoxide molecules with hydrogen covered vanadium clusters containing between 5 and 20 atoms. Structural information on these hydrogen covered vanadium clusters and their complexes with CO is obtained from infrared multiple photon dissociation spectroscopy, complemented with density functional theory calculations for the V5 to V9 cluster siz...
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The storage capacity of hydrogen on Na-decorated born nitride nanotubes (BNNTs) is investigated by using density functional theory within Quantum Espresso and Gaussian 09. The results obtained predict that a single Na atom tends to occupy above the central region of the hexagonal rings in (5,0) and (3,3) BNNT structures with a binding energy of -2.67 and -4.28 eV/Na-atom respectively. When a si...
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Modification of individual chemisorbed benzene molecules on Cu~100! has recently been performed in atomic manipulation experiments @J. Phys. Chem. A. 104, 2463 ~2000!; Surf. Sci 451, 219 ~2000!#. Benzene dissociates under controlled voltage pulses in a scanning tunneling microscope ~STM! junction. The reaction is characterized as a dehydrogenation process and the fragments are identified as ben...
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ژورنال
عنوان ژورنال: RSC Advances
سال: 2020
ISSN: 2046-2069
DOI: 10.1039/d0ra06057g