Crystal Structures of the High‐Pressure Palladium Dichalcogenides Pd0.94(1)S2 and Pd0.88(1)Se2 Comprising Exceptional PdIV Oxidation States

Selb, Elisabeth; Götsch, Thomas; Janka, Oliver; Penner, Simon; Heymann, Günter

doi:10.1002/zaac.201700140

Cited by 18 publications

(7 citation statements)

References 49 publications

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“…Under pressure, the PdS 2 ‐type structure reversibly transforms to the pyrite‐type structure . The pyrite‐phase competes with the marcasite‐type structure, as it is close in energy (Δ E =6.2 kJ mol −1 for PdSe 2 ).…”

Section: Structures Of Layered Nm(d/p)csmentioning

confidence: 99%

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Two‐Dimensional Noble‐Metal Chalcogenides and Phosphochalcogenides

2020

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Noble‐metal chalcogenides, dichalcogenides, and phosphochalcogenides are an emerging class of two‐dimensional materials. Quantum confinement (number of layers) and defect engineering enables their properties to be tuned over a broad range, including metal‐to‐semiconductor transitions, magnetic ordering, and topological surface states. They possess various polytypes, often of similar formation energy, which can be accessed by selective synthesis approaches. They excel in mechanical, optical, and chemical sensing applications, and feature long‐term air and moisture stability. In this Minireview, we summarize the recent progress in the field of noble‐metal chalcogenides and phosphochalcogenides and highlight the structural complexity and its impact on applications.

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Section: Structures Of Layered Nm(d/p)csmentioning

confidence: 99%

“…Other phases with reduced interlayer distances can occur between these phases . In the case of PdS 2 , much higher pressures (>16 GPa) are needed to obtain the pyrite phase .…”

Section: Structures Of Layered Nm(d/p)csmentioning

confidence: 99%

Two‐Dimensional Noble‐Metal Chalcogenides and Phosphochalcogenides

2020

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“…1T, 2H, and 3R [11]. Moreover, recent studies [12][13][14][15][16][17][18][19][20] have shown that some TMDs can also exhibit orthorhombic structures, specifically pyrite and marcasite structures.…”

Section: Introductionmentioning

confidence: 99%

Layer-dependent band engineering of Pd dichalcogenides: a first-principles study

et al. 2020

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Among the families of transition metal dichalcogenides (TMDs), Pd-based TMDs have been one of the less explored materials. In this study, we investigate the electronic properties of PdX 2 (X = S, Se, or Te) bulk and thin films. The analysis of structural stability shows that the bulk and thin film (1 to 5 layers) structures of PdS 2 exhibit pyrite, while PdTe 2 exhibits 1T. Furthermore, PdSe 2 exhibits pyrite in bulk and thin films down to the bilayer. Most surprisingly, PdSe 2 monolayer transits to 1T phase. For the electronic properties of the stable bulk configurations, pyrite PdS 2 and PdSe 2 , and 1T PdTe 2 , demonstrate semi-metallic features. For monolayer, on the other hand, the stable pyrite PdS 2 and 1T PdSe 2 monolayers are insulating with band gaps of 1.399 eV and 0.778 eV, respectively, while 1T PdTe 2 monolayer remains to be semi-metallic. The band structures of all the materials demonstrate a decreasing or closing of indirect band gap with increasing thickness. Moreover, the stable monolayer band structures of PdS 2 and PdSe 2 exhibit flat bands and diverging density of states near the Fermi level, indicating the presence of van Hove singularity. Our results show the sensitivity and tunability of the electronic properties of PdX 2 for various potential applications.

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“…Unter Druck verformt sich der PdS 2 ‐Strukturtyp reversibel zum Pyrit‐Strukturtyp . Die Pyrit‐Phase konkurriert mit der Markasit‐Phase, da beide ähnliche Energien zueinander aufweisen (Δ E =6.2 kJ mol −1 bei PdSe 2 ).…”

Section: Strukturen Der Schichtartigen Nm(d/p)csunclassified

“…Dazwischen können andere Phasen mit kleinerem Interlagenabstand beobachtet werden . Im Falle von PdS 2 werden viel höhere Drücke über 16 GPa benötigt, um die Pyrit‐Phase zu erhalten .…”

Section: Strukturen Der Schichtartigen Nm(d/p)csunclassified

Zweidimensionale Edelmetallchalkogenide und ‐phosphochalkogenide

2020

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Edelmetallchalkogenide sowie deren Dichalkogenide und Phosphochalkogenide sind eine aufstrebende Klasse zweidimensionaler Materialien. Ihre Eigenschaften können durch die Lagenanzahl und Defekte über einen weiten Bereich eingestellt werden. Diese beinhalten Metall‐zu‐Halbleiter‐Übergänge, magnetische Ordnung und topologische Oberflächenzustände. Diese Materialien liegen in verschiedenen Polytypen vor, die oft ähnliche Bildungsenergien aufweisen, wodurch sie durch selektive Syntheseansätze hergestellt werden können. Sie sind herausragend in mechanischen, optischen und chemischen Sensoren, insbesondere aufgrund ihrer Stabilität gegenüber Luft und Feuchtigkeit über lange Zeiträume. In diesem Kurzaufsatz wird der gegenwärtige Fortschritt im Bereich der Edelmetallchalkogenide und deren Phosphochalkogenide zusammengefasst und die besondere strukturelle Komplexität in den Vordergrund gerückt, die ihre Anwendungen beeinflusst.

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Crystal Structures of the High‐Pressure Palladium Dichalcogenides Pd_0.94(1)S₂ and Pd_0.88(1)Se₂ Comprising Exceptional Pd^IV Oxidation States

Cited by 18 publications

References 49 publications

Two‐Dimensional Noble‐Metal Chalcogenides and Phosphochalcogenides

Two‐Dimensional Noble‐Metal Chalcogenides and Phosphochalcogenides

Layer-dependent band engineering of Pd dichalcogenides: a first-principles study

Zweidimensionale Edelmetallchalkogenide und ‐phosphochalkogenide

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