Study on thermal behaviors of Li/H atom in the bulk graphite by molecular dynamics method

Deng, Bin; Ding, K. Y.; Wu, Zeyi; Shan, L.Y.; Lim, P. K.; Gu, Chang-Xin

doi:10.1007/s10853-006-1124-2

Cited by 17 publications

(27 citation statements)

References 15 publications

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“…The same trend was also observed in other two MXenes coupled samples, i.e., Pt 1.42 Ni@Ti 3 C 2 and Pt 5.67 Ni@ Ti 3 C 2 , as shown in Figure S12 from Ti 3 C 2 nanosheets to PtNi NWs, resulting in an enhanced electron density around Pt atoms, and thus improvement in catalytic activity for HER. [55][56][57] Furthermore, it should be pointed out that there was a distinct difference of Pt valence state when the Ti 3 C 2 nanosheets were introduced. Specifically, the atomic ratio of oxidized and metallic Pt was up to 55.4:44.6 (calculated from the integral area of corresponding peaks in Figure 5E) in the Pt 3.21 Ni@Ti 3 C 2 , which was much larger than that of Pt 3.21 Ni/C (38.4:61.6, Figure 5B).…”

Section: Resultsmentioning

confidence: 99%

Coupling PtNi Ultrathin Nanowires with MXenes for Boosting Electrocatalytic Hydrogen Evolution in Both Acidic and Alkaline Solutions

Jiang

Yan

et al. 2019

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136

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Developing an efficient electrocatalyst for the hydrogen evolution reaction (HER) working in both acidic and alkaline solutions is highly desirable, but still remains challenging. Here, PtxNi ultrathin nanowires (NWs) with tunable compositions (x = 1.42, 3.21, 5.67) are in situ grown on MXenes (Ti3C2 nanosheets), serving as electrocatalysts toward HER. Such PtxNi@Ti3C2 electrocatalysts exhibit excellent HER performance in both acidic and alkaline solutions, with the Pt3.21Ni@Ti3C2 being the best one. Specifically, Pt3.21Ni@Ti3C2 achieves record‐breaking performance in terms of lowest overpotential (18.55 mV) and smallest Tafel slope (13.37 mV dec−1) for HER in acidic media to date. Theory calculations and X‐ray photoelectron spectroscopy analyses demonstrate that the coupling of MXenes with the NWs not only approaches the Gibbs free energy for hydrogen adsorption close to zero through the electron transfer between them in acidic media, but also provides additional active sites for water dissociation in alkaline solution, both of them being beneficial to the HER performance.

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Section: Resultsmentioning

confidence: 99%

Coupling PtNi Ultrathin Nanowires with MXenes for Boosting Electrocatalytic Hydrogen Evolution in Both Acidic and Alkaline Solutions

Jiang

Yan

et al. 2019

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136

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“…[8] The as-prepared FeSA-G showed an ORR performance similar to that of Pt/C but with a higher stability. Moreover, these nano structure substrates with high specific surface area have additional advantages: 1) It can maximize the accessibility of the high-density single atom active sites on the exposed high area support surface; 2) Single atomic sites can be clearly characterized on simple ordered low-dimensional structures, such as graphene, [58,77,87,96,97,130,131] MoS 2 , [37,75,81,132] and MXene, etc. [11,108,133,134] Typically, to robustly immobilize the metal atoms on the support, the heteroatoms doping, [135] defects, [136,137] and vacancies [55] are usually introduced into the support to form strong interaction [138] with metal atoms.…”

Section: Appropriate Substratementioning

confidence: 99%

Densely Populated Single Atom Catalysts

et al. 2019

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Developing highly efficient electrocatalysts with low cost is critical for the wide‐spread application of sustainable and renewable energy conversion technologies. Single‐atom catalysts (SACs) have attracted considerable attention owing to their high catalytic activity, selectivity, and stability. However, the high surface energy of the single atoms often results in an extremely low loading of metal atom catalysts with limited mass activity. In this context, densely populated SACs are more promising for practical applications due to their high active surface area and mass activity. Herein, the recent research progress of high loading (≥5 wt%) SACs for different electrocatalytic applications is summarized. An overview of various synthesis and characterization strategies of SACs is presented in this review. The influence of appropriate substrates on the preparation of high metal loading SACs is also discussed. In addition, this review provides valuable insights into the current challenges and future opportunities in the field of single‐atom catalysts.

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“…Introducing impurity atoms into TMDs can improve the adsorption of H atoms on the surrounding S sites of the dopants, which enhances their HER activity. [112] The synergistic effect of 2D TMD alloys also contributes to enhancing the HER activity; for example, Mo 1−x W x Se 2 and MoS 2(1−x) Se x show better HER activity than their binary compounds. [113,114] Besides the above applications, 2D doped TMDs have promise to be applied in some emerging areas such as spin electronic devices.…”

Section: Applications Of 2d Doped Tmdsmentioning

confidence: 99%

Various Structures of 2D Transition‐Metal Dichalcogenides and Their Applications

et al. 2018

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2D transition‐metal dichalcogenides (TMDs), which exhibit fascinating and fantastic properties, have promising applications in future electronic devices and photoelectric devices. Here, the recent research on 2D TMDs is summarized, including single components, 2D doped TMDs, and 2D van der Waals heterostructures. The physical picture, synthetic methods, and optoelectronic properties of these 2D materials are comprehensively described. Opportunities and emerging applications of 2D materials in the future are briefly discussed.

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Study on thermal behaviors of Li/H atom in the bulk graphite by molecular dynamics method

Cited by 17 publications

References 15 publications

Coupling PtNi Ultrathin Nanowires with MXenes for Boosting Electrocatalytic Hydrogen Evolution in Both Acidic and Alkaline Solutions

Coupling PtNi Ultrathin Nanowires with MXenes for Boosting Electrocatalytic Hydrogen Evolution in Both Acidic and Alkaline Solutions

Densely Populated Single Atom Catalysts

Various Structures of 2D Transition‐Metal Dichalcogenides and Their Applications

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