Trends in the structure and bonding in the layered platinum dioxide and dichalcogenides PtQ2 (Q=O, S, Se, Te)

Dai, David Yun; Koo, Hyun‐Joo; Whangbo, Myung‐Hwan; Soulard, C.; Rocquefelte, Xavier; Jobic, Stéphane

doi:10.1016/s0022-4596(03)00100-2

Cited by 46 publications

(45 citation statements)

References 26 publications

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“…Other studies also showed that these specific TMDs have unique electronic properties that are suitable for a wide range of optoelectronic device applications 21,22 and hydrogen-evolution reaction. 24 Moreover, theoretical studies [27][28][29][30][31][32][33][34][35] regarding noble TMDs, specifically on PtX 2 and PdX 2 , have been conducted. However, they are mostly either focused on the properties of fewlayer structures, or on other specific TMD materials.…”

Section: Introductionmentioning

confidence: 99%

Thickness dependent electronic properties of Pt dichalcogenides

et al. 2019

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Platinum-based transition metal dichalcogenides have been gaining renewed interest because of the development of a new method to synthesize thin film structures. Here, using first-principles calculation, we explore the electronic properties of PtX 2 (X = S, Se, and Te) with respect to film thickness. For bulk and layered structures (1 to 10 layers), octahedral 1T is the most stable. Surprisingly, we also find that the 3R structure has comparable stability relative to the 1T, implying possible synthesis of 3R. For a bulk 1T structure, PtS 2 is semiconducting with an indirect band gap of 0.25 eV, while PtSe 2 and PtTe 2 are both semi-metallic. Still, all their corresponding monolayers exhibit an indirect semiconducting phase with band gaps of 1.68, 1.18, and 0.40 eV for PtS 2 , PtSe 2 , and PtTe 2 , respectively. For the band properties, we observe that all these materials manifest decreasing/closing of indirect band gap with increasing thickness, a consequence of quantum confinement and interlayer interaction. Moreover, we discover that controlling the thickness and applying strain can manipulate van Hove singularity resulting to high density of states at the maximum valence band. Our results exhibit the sensitivity and tunability of electronic properties of PtX 2 , paving a new path for future potential applications.

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Section: Introductionmentioning

confidence: 99%

Thickness dependent electronic properties of Pt dichalcogenides

et al. 2019

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“…According to ARPES and theoretical results, the Dirac cone is buried in the valence band and Te‐p orbitals are responsible for formation of valence bands. The overlap repulsion between filled 5p orbitals of Te is much stronger in each Te‐atom sheet than adjacent two Te‐atom sheets, creating an ultra‐strong covalent bonds joining adjacent layers . The strong interlayer interactions in PtTe 2 would lead to many interesting thickness‐dependent electronic properties .…”

Section: Introductionmentioning

confidence: 99%

Low‐Temperature Eutectic Synthesis of PtTe₂ with Weak Antilocalization and Controlled Layer Thinning

Hao

Zeng

et al. 2018

Adv Funct Materials

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Metallic transition metal dichalcogenides (TMDs) have exhibited various exotic physical properties and hold the promise of novel optoelectronic and topological devices applications. However, the synthesis of metallic TMDs is based on gas-phase methods and requires high-temperature condition. As an alternative to the gas-phase synthetic approach, lower temperature eutectic liquid-phase synthesis presents a very promising approach with the potential for larger-scale and controllable growth of high-quality thin metallic TMD single crystals. Here, the first realization of low-temperature eutectic liquid-phase synthesis of type-II Dirac semimetal PtTe 2 single crystals with thickness ranging from 2 to 200 nm is presented. The electrical measurement of synthesized PtTe 2 reveals a record-high conductivity of as high as 3.3 × 10 6 S m −1 at room temperature. Besides, the weak antilocalization behavior is identified experimentally in the type-II Dirac semimetal PtTe 2 for the first time. Furthermore, a simple and general strategy is developed to obtain atomically thin PtTe 2 crystal by thinning as-synthesized bulk samples, which can still retain highly crystalline and exhibits excellent electrical conductivity. The results of controllable and scalable low-temperature eutectic liquid-phase synthesis and layer-by-layer thinning of high-quality thin PtTe 2 single crystals offer a simple and general approach for obtaining different thickness metallic TMDs with high meltingpoint transition metal.

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“…[6] Often, past studies associated with Group 10 TMDs discussed their electronic structures. [7] Electronic structures of Group 10 TMDs have fascinated the scientific community due to the close proximity in binding energies of valence d-orbitals of the Group 10 transition metals and valence p-orbitals of the chalcogen atoms. Compared to groups 4-9 TMDs, this phenomenon elicits more extensive hybridization between Group 10 metal d-orbitals and the chalcogen p-orbitals.…”

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confidence: 99%

“…PtSe 2 was initially suggested to be a semiconductor [9] but later studies verified that PtSe 2 is semimetallic. [7,8,10] Of paramount interest, substituting the chalcogen atom from sulfur with selenium and then to tellurium, dramatically alters the electronic property of the Pt dichalcogenide.…”

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confidence: 99%

Layered Platinum Dichalcogenides (PtS₂, PtSe₂, and PtTe₂) Electrocatalysis: Monotonic Dependence on the Chalcogen Size

Chia

Ambrosi

Lazar

et al. 2016

Adv Funct Materials

259

267

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Presently, research in layered transition metal dichalcogenides (TMDs) for numerous electrochemical applications have largely focused on Group 6 TMDs, especially MoS2 and WS2, whereas TMDs belonging to other groups are relatively unexplored. This work unravels the electrochemistry of Group 10 TMDs: specifically PtS2, PtSe2, and PtTe2. Here, the inherent electroactivities of these Pt dichalcogenides and the effectiveness of electrochemical activation on their charge transfer and electrocatalytic properties are thoroughly examined. By performing density functional theory (DFT) calculations, the electrochemical and electrocatalytic behaviors of the Pt dichalcogenides are elucidated. The charge transfer and electrocatalytic attributes of the Pt dichalcogenides are strongly associated with their electronic structures. In terms of charge transfer, electrochemical activation has been successful for all Pt dichalcogenides as evident in the faster heterogeneous electron transfer (HET) rates observed in electrochemically reduced Pt dichalcogenides. Interestingly, the hydrogen evolution reaction (HER) performance of the Pt dichalcogenides adheres to a trend of PtTe2 > PtSe2 > PtS2 whereby the HER catalytic property increases down the chalcogen group. Importantly, the DFT study shows this correlation to their electronic property in which PtS2 is semiconducting, PtSe2is semimetallic, and PtTe2 is metallic. Furthermore, Pt dichalcogenides are effectively activated for HER. Distinct electronic structures of Pt dichalcogenides account for their different responses to electrochemical activation. Among all activated Pt dichalcogenides, PtS2 shows most accentuated improvement as a HER electrocatalyst with an exceptional 50% decline in HER overpotential. Knowledge on Pt dichalcogenides provides valuable insights in the field of TMD electrochemistry, in particular, for the currently underrepresented Group 10 TMDs.

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Trends in the structure and bonding in the layered platinum dioxide and dichalcogenides PtQ2 (Q=O, S, Se, Te)

Cited by 46 publications

References 26 publications

Thickness dependent electronic properties of Pt dichalcogenides

Thickness dependent electronic properties of Pt dichalcogenides

Low‐Temperature Eutectic Synthesis of PtTe₂ with Weak Antilocalization and Controlled Layer Thinning

Layered Platinum Dichalcogenides (PtS₂, PtSe₂, and PtTe₂) Electrocatalysis: Monotonic Dependence on the Chalcogen Size

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Trends in the structure and bonding in the layered platinum dioxide and dichalcogenides PtQ2 (Q=O, S, Se, Te)

Cited by 46 publications

References 26 publications

Thickness dependent electronic properties of Pt dichalcogenides

Thickness dependent electronic properties of Pt dichalcogenides

Low‐Temperature Eutectic Synthesis of PtTe2 with Weak Antilocalization and Controlled Layer Thinning

Layered Platinum Dichalcogenides (PtS2, PtSe2, and PtTe2) Electrocatalysis: Monotonic Dependence on the Chalcogen Size

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Low‐Temperature Eutectic Synthesis of PtTe₂ with Weak Antilocalization and Controlled Layer Thinning

Layered Platinum Dichalcogenides (PtS₂, PtSe₂, and PtTe₂) Electrocatalysis: Monotonic Dependence on the Chalcogen Size