Multiscale electrodeposition

Figure 4.7 Schematic of the dynamically coupled multiscale simulation of the electrodeposition of copper into a trench to form a copper wire. A finite volume code that simulates the potential field and concentration fields of all chemical species in aqueous solution sends the solution concentrations and potential at the solid-liquid interface to a KMC code, which simulates adsorption, desorption and chemical and electrochemical reactions that occur on the surface. The KMC code...

The multiscale systems approach is directly applicable to problems in nanotechnology, molecular nanotechnology and molecular manufacturing. The key ideas have been illustrated with examples from two processes of importance to the semiconductor industry the electrodeposition of copper to form on-chip interconnects and junction formation in metal oxide semiconductor field effect transistors. 

Carlo Simulation of Copper Electrodeposition with Additives. Int. ]. Multiscale Comput. Eng., 2, 313-327. 

He, Y., Braatz, R. and Alkire, R. (2007) Effect of Additives on Shape Evolution during Electrodeposition. I. Multiscale Simulation with Dynamically Coupled Kinetic Monte Carlo and Moving-Boundary Finite-Volume Codes. /. Electrochem. Soc., 154, D230-D240. 

Electrodeposition of copper on trenches of microchip interconnects is an important process in modern microelectronics. Thus, KMC models ° and KMC-based multiscale models ° ° have been used to investigate the nucle-ation, surface chemistry, and roughness evolution in this process. However, most KMC models of electrodeposition have not incorporated electrochemical influences and so will not be discussed here. Nonetheless, due to the success of KMC with other electrochemical systems, excellent future opportunities exist for applying KMC to electrodeposition processes. 

T. O. Drews, R. D. Braatz, and R. C. Alkire, Int. J. Multiscale Comput., 2, 313 (2004). Coarse-Grained Kinetic Monte Carlo Simulation of Copper Electrodeposition with Additives. 

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