Equilibrium shape of nickel crystal

Hong, Ju-Seop; Jo, Wook; Ko, Kwang Jin; Hwang, Nong M.; Kim, Do-Hyeon

doi:10.1080/14786430903164598

Cited by 18 publications

(15 citation statements)

References 35 publications

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“…As the previous studies show, all the binding energies suggest the characteristic of the Ni 2+ . The Ni 2p spectrum of the Ni–NC precursor, shown in Figure S5d (Supporting Information), exhibits two peaks that correspond to the Ni 2p 3/2 and Ni 2p 1/2 of pure Ni . Furthermore, the XPS peak of S 2p, shown in Figure d, is deconvoluted into the two binding‐energy peaks at 161.7 and 162.9 eV, which correspond to the S 2p 3/2 and S 2p 1/2 orbitals of S 2− , respectively .…”

Section: Resultssupporting

confidence: 53%

Millerite Core–Nitrogen‐Doped Carbon Hollow Shell Structure for Electrochemical Energy Storage

Tiruneh

Kang

Choi

et al. 2018

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Nickel sulfides have drawn much attention with the benefits of a high redox activity, high electrical conductivity, low cost, and fabrication ease; however, these metal sulfides are susceptible to mechanical degradation regarding their cycling performance. Conversely, hollow carbon shells exhibit a substantial electrochemical steadiness in energy storage applications. Here, the design and development of a novel millerite core-nitrogen-doped carbon hollow shell (NiS-NC HS) structure for electrochemical energy storage is presented. The nitrogen-doped carbon hollow shell (NC HS) protects against the degradation and the millerite-core aggregation, giving rise to an excellent rate capability and stability during the electrochemical charging-discharging processes, in addition to improving the NiS-NC HS conductivity. The NiS-NC HS/18h supercapacitor electrode displays an outstanding specific capacitance of 1170.72 F g (at 0.5 A g ) and maintains 90.71% (at 6 A g ) of its initial capacitance after 4000 charge-discharge cycles, owing to the unique core-shell structure. An asymmetric-supercapacitor device using NiS-NC HS and activated-carbon electrodes exhibits a high power and energy density with a remarkable cycling stability, maintaining 89.2% of its initial capacitance after 5000 cycles.

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Section: Resultssupporting

confidence: 53%

Millerite Core–Nitrogen‐Doped Carbon Hollow Shell Structure for Electrochemical Energy Storage

Tiruneh

Kang

Choi

et al. 2018

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“…The difficulty in achieving pure and equilibrated Ni particles could be the reason why the ECS of Ni was not studied to the same extent as other FCC metals. Recently, the ECS of dewetted Ni particles was investigated by Hong et al [19]. Surprisingly, they found that at equilibrium, the most stable surface is {210} (which is usually the highest low index surface energy for FCC metals [12] [22].…”

Section: Introductionmentioning

confidence: 99%

The equilibrium crystal shape of nickel

et al. 2011

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The crystal shape of Ni particles, dewetted in the solid state on sapphire substrates, was examined as a function of the partial pressure of oxygen (P(O2)) and iron content using scanning and transmission electron microscopy. The chemical composition of the surface was characterized by atom-probe tomography. Unlike other FCC equilibrium crystal shapes, the Ni crystals containing little or no impurities exhibited a facetted shape, indicating large surface anisotropy. In addition to the {111}, {100} and {110} facets, which are usually present in the equilibrium crystal shape of FCC metals, high index facets were identified such as {135} and {138} at low P(O2), and {012} and {013} at higher P(O2). The presence of iron altered the crystal shape into a truncated sphere with only facets parallel to denser planes. The issue of particle equilibration is discussed specifically for the case of solid-state dewetting.

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“…Hong et al 8 have investigated the carbon-induced morphological evolution of nickel catalyst using chemical vapor deposition. They found that carburization decreases the surface energy anisotropy and observed the change in shape from a polyhedral to a sphere.…”

Section: Resultsmentioning

confidence: 99%

“…Nickel-based catalysts, due to their high catalytic activity and relatively low cost, 1,2 are widely used for hydrocarbon conversion processes such as steam and CO 2 reforming, 3,4 catalytic partial oxidation of CH 4 , 5 and methanation reactions. 6,7 However, during hydrocarbon conversion, the in situ evolution of the catalyst in the reactive environment plays an important role in modulating the structure and performances of the catalyst such as morphology change, 8 surface reconstruction, 9 surface compositional change, 10 and selectivity shifts. 11 One of the most important observations is the carbon deposition on the catalyst surfaces due to the high carbon chemical potential of the reaction environment.…”

Section: Introductionmentioning

confidence: 99%

Carbon Deposition and Permeation on Nickel Surfaces in Operando Conditions: A Theoretical Study

et al. 2021

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The carbon deposition and permeation on nickel surfaces were investigated from thermodynamic and kinetic aspects by using density functional theory (DFT), ab initio atomic thermodynamics, and classical molecular dynamics (MD) simulations. The resulting evolution of particle morphology, crystalline composition, and barriers of typical surface reactions were explored. The exposed facets of Ni show distinct thermodynamic and kinetic sensitivity to carbon deposition and permeation. Thermodynamically, with increasing carbon chemical potential, the carbon coverage and the surface energies of facets change, which leads to the evolving of the equilibrium morphology of Ni particles, favoring higher exposure of the (111) surface. MD simulations show that carbon deposition triggers surface reconstruction at high temperature, and the rate of carbon permeation increases with temperature. Kinetically, the permeation on most Ni surfaces is facile at relatively low temperature except for (111), which shows a threshold temperature of 800 K. Evaluation of a representative probe reaction (methane activation) shows that the reaction barrier and reaction energy increase with the degree of carbide formation, while no general trend is observed for the reverse reaction (CH3 + H). Our study provides an atomic level insight into the carbon deposition process on Ni surfaces and indicates that it is crucial to consider carbon deposition and permeation to understand the particle morphology, crystalline composition, and catalytic performances of Ni.

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Equilibrium shape of nickel crystal

Cited by 18 publications

References 35 publications

Millerite Core–Nitrogen‐Doped Carbon Hollow Shell Structure for Electrochemical Energy Storage

Millerite Core–Nitrogen‐Doped Carbon Hollow Shell Structure for Electrochemical Energy Storage

The equilibrium crystal shape of nickel

Carbon Deposition and Permeation on Nickel Surfaces in Operando Conditions: A Theoretical Study

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