Surface patterning by atomically-controlled chemical forces : molecular dynamics simulations

Abstract The use of atomically-controlled reactive chemical forces via modified scanning-probe microscope tips provides a potentially powerful way of building nanodevices. In this work, we use atomistic simulations to explore the feasibility of one such system, namely the selective abstraction of hydrogen from a diamond surface using a tip with a chemisorbed ethynyl radical. We characterize reaction rates and energy flow at the tip, and conclude that they are sufficiently fast to make this approach feasible. We propose a novel tip design to perform the abstraction without inadvertently damaging the surface or probe tip.

[1]  Donald W. Brenner,et al.  Atomistic Simulations of Friction at Sliding Diamond Interfaces , 1993 .

[2]  W. C. Lineberger,et al.  Bond Strengths of Ethylene and Acetylene , 1990 .

[3]  N. D. Lang Field desorption of a Si atom from a metal surface , 1992 .

[4]  Uchida,et al.  Local hydride formation of the Si(111)-(7 x 7) surface by hydrogen atoms deposited from a scanning tunneling microscope tip. , 1994, Physical review letters.

[5]  P. Avouris,et al.  Field-Induced Nanometer- to Atomic-Scale Manipulation of Silicon Surfaces with the STM , 1991, Science.

[6]  David M. Golden,et al.  Hydrocarbon Bond Dissociation Energies , 1982 .

[7]  D. Eigler,et al.  Positioning single atoms with a scanning tunnelling microscope , 1990, Nature.

[8]  D. Eigler,et al.  An atomic switch realized with the scanning tunnelling microscope , 1991, Nature.

[9]  K. Eric Drexler,et al.  Nanosystems - molecular machinery, manufacturing, and computation , 1992 .

[10]  William A. Goddard,et al.  Theoretical studies of a hydrogen abstraction tool for nanotechnology , 1991 .

[11]  D. Rugar,et al.  Atomic emission from a gold scanning-tunneling-microscope tip. , 1990, Physical review letters.

[12]  Hironaga Uchida,et al.  Single-atom manipulation on the Si(111)7 × 7 surface by the scanning tunneling microscope (STM) , 1993 .

[13]  D. Brenner,et al.  Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films. , 1990, Physical review. B, Condensed matter.