Interaction of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>and He with metal atoms, clusters, and ions

Niu, J.E.; Rao, B. K.; Jena, P.; Manninen, M.

doi:10.1103/physrevb.51.4475

Cited by 87 publications

(59 citation statements)

References 33 publications

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“…Our density functional theory (DFT) calculations show that these MH 2 À ions are very stable, but the corresponding neutral MH 2 molecules, which have also been computed by others, [7][8][9][10][11] are unstable relative to M and H 2 . Four late firstrow transition metal dihydride anions (MnH 2 À through NiH 2 À ) have been characterized by photoelectron spectroscopy (PES), but the neutral molecules are stable [12] in contrast to CuH 2 .…”

mentioning

confidence: 81%

Gold Is Noble but Gold Hydride Anions Are Stable

Wang

Andrews

2003

Angew Chem Int Ed

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Coinage metal hydrides are stabilized by negative charge: Reactions of energized laser‐ablated gold, silver, and copper with H2 in excess argon, neon, and pure normal hydrogen during condensation at 3.5 K give the MH molecules, the (H2)MH complexes, the MH2− ions, and the MH4− ion only for gold. The stable linear MH2− ions are unique in that their corresponding neutral MH2 molecules are higher in energy and thus unstable to M + H2 decomposition.

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mentioning

confidence: 81%

Gold Is Noble but Gold Hydride Anions Are Stable

Wang

Andrews

2003

Angew Chem Int Ed

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“…Furthermore, the dissociation ability of a transition metal surface is considerably enhanced at low-coordinated atoms such as steps [1,34]. For isolated transition metal atoms, such as Ni, hydrogen dissociation takes place via a charge transfer from the TM host to the anti-bonding states of the molecule, which will increase the H\H separation and ultimately lead to its dissociation [35,36]. While our data are suggestive for one H atom per Ti host, a close inspection of the apparent height distribution using a smaller bin size than in Fig.…”

Section: Hydrogen Uptake By Titanium Adatomsmentioning

confidence: 99%

Quantifying residual hydrogen adsorption in low-temperature STMs

2013

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We report on low-temperature scanning tunneling microscopy observations demonstrating that individual Ti atoms on hexagonal boron nitride dissociate and adsorb hydrogen without measurable reaction barrier. The clean and hydrogenated states of the adatoms are clearly discerned by their apparent height and their differential conductance revealing the Kondo effect upon hydrogenation. Measurements at 50 K and 5 × 10 −11 mbar indicate a sizable hydrogenation within only 1 h originating from the residual gas pressure, whereas measurements at 4.7 K can be carried out for days without H 2 contamination problems. However, heating up a low-T STM to operate it at variable temperature results in very sudden hydrogenation at around 17 K that correlates with a sharp peak in the total chamber pressure. From a quantitative analysis we derive the desorption energies of H 2 on the cryostat walls. We find evidence for hydrogen contamination also during Ti evaporation and propose a strategy on how to dose transition metal atoms in the cleanliest fashion. The present contribution raises awareness of hydrogenation under seemingly ideal ultra-high vacuum conditions, it quantifies the H 2 uptake by isolated transition metal atoms and its thermal desorption from the gold plated cryostat walls.

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“…2), can store up to 9 wt% hydrogen under mild conditions. The mechanism for the large amount of nondissociative H 2 adsorption is similar to that disclosed by Niu et al 41 …”

Section: Transition Metal-decorated Nanostructuresmentioning

confidence: 54%

“…40 It was reported that bare Ni cation can bind up to six molecules of hydrogen reversibly as ligands. 41 However, the utilization of bare metal ions is not practical, and accordingly nanomaterials such as nanotubes and fullerenes can serve as supporting systems for transition metals, clusters, or alloys, where the intermediate adsorption is available between physisorption and chemisorption. Yildirim and Ciraci 42 predicted that up to 8 wt% hydrogen storage can be achieved in Ti-decorated SWCNTs, due to the strong binding between Ti and H 2 .…”

Section: Transition Metal-decorated Nanostructuresmentioning

confidence: 99%

Recent Computational Explorations for Nanostructured Hydrogen Storage Materials

Li¹,

Tang²,

Zhou³

2011

Jnl of Comp & Theo Nano

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Hydrogen is widely recognized as an ideal alternative energy carrier for fossil fuels; however, one bottleneck of realizing hydrogen economy is to find feasible and safe materials that can store hydrogen with high gravimetric and volumetric density, and allow hydrogen uptake and release under ambient conditions. In this review, we summarize the recent computational studies on nanostructured materials for hydrogen storage, including carbon and BN nanotubes, metal-decorated nanostructures, metal diboride nanotubes, and framework materials. Combining experimental progress, we also give comments on how to obtain enhanced H 2 adsorption state in nanostructured materials.

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Interaction ofH2and He with metal atoms, clusters, and ions

Cited by 87 publications

References 33 publications

Gold Is Noble but Gold Hydride Anions Are Stable

Gold Is Noble but Gold Hydride Anions Are Stable

Quantifying residual hydrogen adsorption in low-temperature STMs

Recent Computational Explorations for Nanostructured Hydrogen Storage Materials

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