Chemical bonding features of the ternary alkali metal platinum and palladium hydrides

Orgaz, Emilio; Gupta, Michèle

doi:10.1002/1097-461x(2000)80:2<141::aid-qua10>3.0.co;2-8

Cited by 10 publications

(6 citation statements)

References 25 publications

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“…Thus, we observe evidence of a weak H–metal covalency. This is contrary to the commonly observed bonding in many intermetallic or ternary alkali/alkaline‐earth/transition‐metal hydrides 17–21. Moreover, the DOS (and PDOS) at the Fermi energy show unequivocally Sn I ‐5p and Sn II ‐5p orbital contributions.…”

Section: Resultscontrasting

confidence: 82%

Bonding properties of the new zintl‐phase hydrides

Orgaz

Aburto

2004

Int J of Quantum Chemistry

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ABSTRACT:We investigated the electronic structure of three recently discovered Zintl-phase hydrides: SrAl 2 H 2 , Ca 3 SnH 2 , and Ca 5 Sn 3 H. The energy bands and the total and partial densities of states were computed by means of the full-potential linearized augmented-plane-wave method. We found the SrAl 2 H 2 and Ca 5 Sn 3 H hydrides are metallic and Ca 3 SnH 2 is a small-gap semiconductor. We analyzed the chemical bonding features of this series of compounds.

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Section: Resultscontrasting

confidence: 82%

Bonding properties of the new zintl‐phase hydrides

Orgaz

Aburto

2004

Int J of Quantum Chemistry

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“…Pd 2– and Pt 2– are also iso-valence-electronic with Au – , and form linear PdH 2 2– and PtH 2 2– ions, readily stabilized in the solid state as persistent [A] 2 PdH 2 and [A] 2 PtH 2 salts (A = alkali metal). − Several of these molecular solids show a surprising metallicity, which has been explained as arising from alkali metal s-states crossing the Fermi level. − Pursued for possible hydrogen storage , and high temperature applications, their design and synthesis is an active field of research. , …”

Section: Resultsmentioning

confidence: 99%

Ternary Gold Hydrides: Routes to Stable and Potentially Superconducting Compounds

2017

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In a search for gold hydrides, an initial discouraging result of no theoretical stability in any binary AuH at P < 300 GPa was overcome by introducing alkali atoms as reductants. A set of AAuH compounds, A = Li, Na, K, Rb, and Cs, is examined; of these, certain K, Rb, and Cs compounds are predicted to be thermodynamically stable. All contain AuH molecular units and are semiconducting at P = 1 atm, and some form metallic and superconducting symmetrically bonded AuHAu sheets under compression. To induce metallicity by bringing the Au atoms closer together under ambient conditions, we examined alkaline earth ion substitution for two A, i.e., materials of composition AE(AuH). For AE = Ba and Sr, the materials are already marginally metallic at P = 1 atm and the combination of high and low phonon frequencies and good electron-phonon coupling leads to reasonably high calculated superconducting transition temperatures for these materials.

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“…In the solid state, these compounds contain anionic [MH n ] δ− clusters, which are stabilized by surrounding cations . As such, these hydrides contain both ionic (or Coulombic) interactions between the cation and the anionic cluster, and covalent (or coordination) bonds between the metal center and the hydrogen atoms . A variety of these hydrides with Pt and Rh centers have been synthesized and fully characterized. , Although similar solid-state examples of ternary gold hydrides are unavailable, their existence is not unlikely: AuH 2 – and AuH 4 – have been generated with laser ablation, and theoretical calculations suggest that such AuH 2 – clusters could be stabilized by alkali metal cations .…”

Section: Discussionmentioning

confidence: 99%

Alkali Metal Cation Effects in Structuring Pt, Rh, and Au Surfaces through Cathodic Corrosion

Hersbach

McCrum

Anastasiadou

et al. 2018

ACS Appl. Mater. Interfaces

125

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Cathodic corrosion is an electrochemical etching process that alters metallic surfaces by creating nanoparticles and a variety of etching features. Because these features typically have a preferential orientation, cathodic corrosion can be applied to modify and nanostructure electrode surfaces. However, this application of cathodic corrosion is currently limited by an insufficient chemical understanding of its underlying mechanism. This includes the role of alkali metal cations, which are thought to be crucial in both enabling cathodic corrosion and controlling its final facet preference. This work addresses this knowledge gap by exploring the cathodic corrosion of Pt, Rh, and Au in LiOH, NaOH, and KOH through both experimental and theoretical methods. These methods demonstrate that cations are adsorbed during cathodic corrosion and play a major role in controlling the onset potential and final surface morphology in cathodic corrosion. Interestingly, an equally significant role appears to be played by adsorbed hydrogen, based on calculations using literature density functional theory data. Considering the significance of both hydrogen and electrolyte cations, it is hypothesized that cathodic corrosion might proceed via an intermediate ternary metal hydride. This fundamental insight leads to both metal-specific recommendations and more general guidelines for applying cathodic corrosion to structure metallic surfaces.

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Chemical bonding features of the ternary alkali metal platinum and palladium hydrides

Cited by 10 publications

References 25 publications

Bonding properties of the new zintl‐phase hydrides

Bonding properties of the new zintl‐phase hydrides

Ternary Gold Hydrides: Routes to Stable and Potentially Superconducting Compounds

Alkali Metal Cation Effects in Structuring Pt, Rh, and Au Surfaces through Cathodic Corrosion

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