Theoretical analysis of a carbon-carbon dimer placement tool for diamond mechanosynthesis.
Density functional theory is used with Gaussian 98 to analyze a new family of proposed mechanosynthetic tools that could be employed for the placement of two carbon atoms--a carbon-carbon (CC) dimer--on a growing diamond surface at a specific site. The analysis focuses on specific group IV-substituted biadamantane tool tip structures and evaluates their stability and the strength of the bond they make with the CC dimer. These tools should be stable in a vacuum and should be able to hold and position a CC dimer in a manner suitable for positionally controlled diamond mechanosynthesis at room temperature.
Merkle
Ralph C
RC
Zyvex Corp., 1321 North Plano Road, Richardson, Texas, USA.
Freitas
Robert A
RA
D000218:Adamantane / Q000737:chemistry*; D001665:Binding Sites; D002244:Carbon / Q000737:chemistry; D003198:Computer Simulation; D017076:Computer-Aided Design; D003460:Crystallization / Q000295:instrumentation* / Q000379:methods*; D018130:Diamond / Q000737:chemistry*; D019281:Dimerization; D004867:Equipment Design / Q000379:methods; D005240:Feasibility Studies; D046911:Macromolecular Substances; D008846:Micromanipulation / Q000295:instrumentation / Q000379:methods; D008958:Models, Molecular; D008968:Molecular Conformation; D036103:Nanotechnology / Q000295:instrumentation* / Q000379:methods*
D046911:Macromolecular Substances; D002244:Carbon; D018130:Diamond; D000218:Adamantane