skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Carbon atom, dimer and trimer chemistry on diamond surfaces from molecular dynamics simulations

Conference ·
OSTI ID:100074

Spectroscopic studies of various atmospheres appearing in diamond film synthesis suggest evidence for carbon atoms, dimers, or trimers. Molecular dynamics simulations with the Brenner hydrocarbon potential are being used to investigate the elementary reactions of these species on a hydrogen-terminated diamond (111) surface. In principle these types of simulations can be extended to simulations of growth morphologies, in the 1-2 monolayer regime presently.

Research Organization:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Organization:
USDOE, Washington, DC (United States)
DOE Contract Number:
W-7405-ENG-36
OSTI ID:
100074
Report Number(s):
LA-UR-95-1876; CONF-950412-52; ON: DE95015120
Resource Relation:
Conference: Spring meeting of the Materials Research Society (MRS), San Francisco, CA (United States), 17-21 Apr 1995; Other Information: PBD: [1995]
Country of Publication:
United States
Language:
English

Similar Records

Molecular dynamics studies of elementary surface reactions of C{sub 2}H{sub 2} and C{sub 2}H in low-pressure diamond-film formation
Journal Article · Thu Oct 15 00:00:00 EDT 1992 · Journal of Physical Chemistry · OSTI ID:100074

Molecular-dynamics simulations of steady-state growth of ion-deposited tetrahedral amorphous carbon films
Journal Article · Sat Jul 15 00:00:00 EDT 2000 · Journal of Applied Physics · OSTI ID:100074

Quantifying Dimer and Trimer Formation by Tri- n -butyl Phosphates in n -Dodecane: Molecular Dynamics Simulations
Journal Article · Thu Jul 21 00:00:00 EDT 2016 · Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry · OSTI ID:100074