Abstract
A semiempirical quantum mechanical (MNDO) method was applied to investigate the energetics of a recently proposed elementary-reaction mechanism of epitaxial diamond growth at low pressures. The mechanism consists of surface activation by H atom abstraction of a hydrogen atom from a surface carbon followed by the addition of acetylene molecules. The computed potential surface indicated that the propagation steps, those of acetylene addition, proceed without any energy barriers.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 6379-6381 |
| Number of pages | 3 |
| Journal | Journal of physical chemistry |
| Volume | 92 |
| Issue number | 22 |
| DOIs | |
| State | Published - 1988 |
All Science Journal Classification (ASJC) codes
- General Engineering
- Physical and Theoretical Chemistry
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