Shape change of submicron nickel particles under hydrogen and nickel chloride vapor

Seung Min Yang, Da Seul Kim, Heechae Choi, Kwang Ho Kim, Nong Moon Hwang*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)


The shape of Ni particles is important. A spherical shape is favored for an electrode material in multilayer ceramic capacitor (MLCC) due to high packing density. A cubic shape is better for applications in catalysts and bioseparation due to its higher magnetic property than a spherical shape. It was found that cubic Ni particles which has a face-centered cubic (fcc) crystal structure, can be synthesized by chemical vapor synthesis (CVS). In this study, to examine whether the cubic shape of Ni particles synthesized by CVS is the growth or the equilibrium shape, the shape change of Ni particles by annealing under H2 and NiCl2 atmospheres was observed. It was confirmed by a density function theory (DFT) method that H2 and NiCl2 vapor favor respectively spherical and cubic shapes, which indicates that NiCl2 stabilizes the {1 0 0} faces of Ni. In this computational work, we provide gas adsorption energies and relaxed atomic structures of Ni(1 0 0) and Ni(1 1 1) surface models. Using this fact, suitable synthetic conditions for cubic and spherical Ni particles could be derived. It was confirmed that the high and low reduction rate favor respectively spherical and cubic shapes during CVS.

Original languageEnglish
Article number145274
JournalApplied Surface Science
Publication statusPublished - 15 Apr 2020
Externally publishedYes


  • Chemical vapor synthesis
  • Equilibrium crystal shape
  • Gas-phase synthesis
  • Nickel particles


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