Structural characteristic correlated to the electronic band gap in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>Mo</mml:mi><mml:msub><mml:mi mathvariant="normal">S</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>

Chu, Shengqi; Park, Changyong; Shen, Guoyin

doi:10.1103/physrevb.94.020101

Cited by 16 publications

(7 citation statements)

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“…A recent comprehensive study on the lattice dynamics and thermodynamic properties of MoS 2 , MoSe 2 , and WS 2 revealed that the bond strength of Mo-Se is weaker than Mo-S, and this investigation was carried out by first principles calculation. [28] As for as Se 3d region ( Figure 2G) is concerned, the P/Se-MoS 2 showed a promising change in the peak position by displacing toward the lower binding energy (54.3-54.0 eV) because of higher electronegative Se replaced by lower electronegative P. [18] Also, P-doping was further confirmed by the XPS spectra of doublet P 2p region ( Figure 2H). The P 2p peak located at 129.3 and 130.2 eV for 2p 3/2 and 2p 1/2 , respectively, corresponds to the formation of Mo-P bonds in P/ Se-MoS 2 .…”

Section: Materials Fabrication and Structural Characterizationmentioning

confidence: 89%

Molybdenum Sulphoselenophosphide Spheroids as an Effective Catalyst for Hydrogen Evolution Reaction

Bose

Jothi

Koh

et al. 2018

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Electrocatalytic splitting of water is the most convincing and straight forward path to extract hydrogen, but the efficiency of this process relies heavily on the catalyst employed. Here, molybdenum sulphoselenophosphide (MoS Se P ) spheroids are reported as an active catalyst for the hydrogen evolution reaction (HER) and this is the first attempt to study on ternary anion based molybdenum chalcogenides. As-prepared MoS Se P catalyst reveals a unique morphology of microspheroids capped by stretched-out nanoflakes that exhibits excellent electrocatalytic activity ( j-10 mA cm @ 93 mV, Tafel slope of 50.1 mV dec , TOF-0.40 s ) fairly closer to the performance of platinum (Pt) and predominant to those of the pre-existing Mo-chalcogenides and phosphides. Such an increase in performance stems from the copious amount of active edge sites, the presence of nanoflakes, and high circumferential area exposed by the spheroids. Besides, the electrode with MoS Se P displays excellent stability in acidic medium over 10 h of continuous operation. This work paves way for improving the catalytic activity of existing Mo-chalcogenide compounds by doping suitable mixed anions and also reveals the integral role of anions as well as their synergetic effects on the surface physiochemical properties and the HER catalysis.

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Section: Materials Fabrication and Structural Characterizationmentioning

confidence: 89%

Molybdenum Sulphoselenophosphide Spheroids as an Effective Catalyst for Hydrogen Evolution Reaction

Bose

Jothi

Koh

et al. 2018

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“…The pressure-induced metallization in MoS 2 was related to a 2 H c to 2 H a iso-structural transition via layer sliding151618. Very recently, the tunable electronic band gap of MoS 2 was found to correlate intrinsically to a common structural characteristic, which was proposed to be readily extendible to other semiconducting MX 2 19.…”

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confidence: 99%

Pressure-induced iso-structural phase transition and metallization in WSe2

Wang

Chen

Zhou

et al. 2017

Sci Rep

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We present in situ high-pressure synchrotron X-ray diffraction (XRD) and Raman spectroscopy study, and electrical transport measurement of single crystal WSe2 in diamond anvil cells with pressures up to 54.0–62.8 GPa. The XRD and Raman results show that the phase undergoes a pressure-induced iso-structural transition via layer sliding, beginning at 28.5 GPa and not being completed up to around 60 GPa. The Raman data also reveals a dominant role of the in-plane strain over the out-of plane compression in helping achieve the transition. Consistently, the electrical transport experiments down to 1.8 K reveals a pressure-induced metallization for WSe2 through a broad pressure range of 28.2–61.7 GPa, where a mixed semiconducting and metallic feature is observed due to the coexisting low- and high-pressure structures.

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“…SL-MoS 2 is composed of trigonal prisms, with the Mo and S atoms occupying the center and vertices, respectively. 35 In flat SL-MoS 2 , the trigonal prism is symmetric, and the length of all the S–Mo bonds is ∼2.42 Å. However, structure bending breaks the symmetry of trigonal prisms, changing the bond lengths of S–Mo significantly.…”

Section: Resultsmentioning

confidence: 99%

Chirality dependent electromechanical properties of single-layer MoS₂ under out-of-plane deformation: a DFT study

Ling,

Liu

et al. 2023

Phys. Chem. Chem. Phys.

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Structural characteristic correlated to the electronic band gap inMoS2

Cited by 16 publications

References 50 publications

Molybdenum Sulphoselenophosphide Spheroids as an Effective Catalyst for Hydrogen Evolution Reaction

Molybdenum Sulphoselenophosphide Spheroids as an Effective Catalyst for Hydrogen Evolution Reaction

Pressure-induced iso-structural phase transition and metallization in WSe2

Chirality dependent electromechanical properties of single-layer MoS₂ under out-of-plane deformation: a DFT study

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Structural characteristic correlated to the electronic band gap inMoS2

Cited by 16 publications

References 50 publications

Molybdenum Sulphoselenophosphide Spheroids as an Effective Catalyst for Hydrogen Evolution Reaction

Molybdenum Sulphoselenophosphide Spheroids as an Effective Catalyst for Hydrogen Evolution Reaction

Pressure-induced iso-structural phase transition and metallization in WSe2

Chirality dependent electromechanical properties of single-layer MoS2 under out-of-plane deformation: a DFT study

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Chirality dependent electromechanical properties of single-layer MoS₂ under out-of-plane deformation: a DFT study