2017
DOI: 10.1016/j.cej.2017.08.078
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Facile synthesis of truncated cube-like NiSe2 single crystals for high-performance asymmetric supercapacitors

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Cited by 143 publications
(47 citation statements)
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“…The electronic wave function was expanded by the plane wave basis with an energy cutoff of 520 eV, and the Brillouin‐zone integration was performed by using 5×5×3 k ‐point mesh according to the Monkhorst‐Pack scheme for CdS and NiSe 2 , respectively. In view of that it is difficult to consider all possible surface configurations to construct NiSe 2 /CdS interface, the NiSe 2 (210) and CdS (100) surfaces were chosen to build the interface system in this study, as the (210) or (100) surface is the largest facet of NiSe 2 or CdS nano‐materials according to the experimental observations, respectively. Then a model containing four CdS layers and NiSe 2 layers was used to simulate the interface of NiSe 2 /CdS, with a vacuum space of 20 Å along the z direction to avoid spurious interactions between adjacent slabs.…”
Section: Methodsmentioning
confidence: 99%
“…The electronic wave function was expanded by the plane wave basis with an energy cutoff of 520 eV, and the Brillouin‐zone integration was performed by using 5×5×3 k ‐point mesh according to the Monkhorst‐Pack scheme for CdS and NiSe 2 , respectively. In view of that it is difficult to consider all possible surface configurations to construct NiSe 2 /CdS interface, the NiSe 2 (210) and CdS (100) surfaces were chosen to build the interface system in this study, as the (210) or (100) surface is the largest facet of NiSe 2 or CdS nano‐materials according to the experimental observations, respectively. Then a model containing four CdS layers and NiSe 2 layers was used to simulate the interface of NiSe 2 /CdS, with a vacuum space of 20 Å along the z direction to avoid spurious interactions between adjacent slabs.…”
Section: Methodsmentioning
confidence: 99%
“…But the van de Waals interaction between Ni(OH) 2 and carbon largely limits the electron transfer efficiency between them. Recently, the composite of Ni(OH) 2 and Ni oxides/sulfides/phosphides was investigated as promising electrode materials, and the heterojunction structures between Ni(OH) 2 and Ni oxides/sulfides/ phosphides are an important reason contributing to their remarkable supercapacitance behaviors [37][38][39]. However, there are still two issues needed to be addressed.…”
Section: Introductionmentioning
confidence: 99%
“…According to the phase diagram, these three materials have stable phases, and their physical–chemical properties strongly depend on their composition, phase structure and morphology. Substantial effort was made to transform Ni 1– x Se and NiSe 2 into high capacitance electrode materials for energy storage, such as Ni 0.85 Se nanosheets (3105 F g −1 at 1 A g −1 ), NiSe nanowires (1790 F g −1 at 5 A g −1 ), and NiSe 2 (1044F g −1 at 3A g −1 ) . However, there are only few reported synthesis procedures of Ni 3 Se 2 which theoretically has better conductivity than NiSe.…”
Section: Introductionmentioning
confidence: 99%