Beyond‑carbon-solvency effects of catalytic metal Ni on diamond growth

• Published in: Diamond and related materials Vol. 107; p. 107875
• Main Authors: Yang, Jeong Woo, Park, Jong Hwan, Byun, Min Gyo, Park, Jinwoo, Yu, Byung Deok, Hwang, Nong Moon
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 01.08.2020; Elsevier BV
• Subjects: Carbon; Diamonds; Nickel
• ISSN: 0925-9635; 1879-0062
• DOI: 10.1016/j.diamond.2020.107875

To understand the physical and chemical roles of catalytic metal Ni in the growth of diamond, ab-initio calculations of the structural, electronic, and kinetic properties of a Ni-covered C (111) surface were performed. Findings from this theoretical study highlight two important roles of Ni in addition to its carbon-solvency effect, widely known to play a catalytic role in the growth of diamond. The first role is to facilitate the formation of a thermodynamically stable Ni-C interface with a diamond bulk-like structure and the second is to induce surfactant-mediated growth enabling continuous layer-by-layer growth for diamond. [Display omitted] •Ab-initio calculations on effects of catalytic Ni on diamond growth•Two important roles of Ni on C(111) surfaces were found.•Ni promotes the formation of the Ni-C interface with a diamond bulk-like structure.•Ni enables surfactant-mediated processes for the continuous growth of diamond.