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Tutorials Manual

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Chapter 4: Materials Problems<br />

<strong>Tutorials</strong> <strong>Manual</strong><br />

occurs as two sequential steps and the kinetics are limiting the process. The O atom<br />

mole fractions in Figure 4-23 shows that the O atoms are not being depleted at the<br />

surface in the stagnation flow simulations, which suggests a kinetic limitation, possibly<br />

resulting from the default reaction orders in this simple mechanism. The incomplete<br />

oxidation of the methylated surface species in turn leads to less than unity O(S)<br />

coverage at the beginning of the TMA pulse, which in turn leads to less efficient use of<br />

TMA and some notable differences between the first and subsequent pulses.<br />

Figure 4-21<br />

Time-dependent ALD Simulations—O Mole Fraction<br />

Figure 4-22<br />

Time-dependent ALD Simulations—Stagnation-flow Site Fractions<br />

RD0411-C20-000-001 139 © 2007 Reaction Design

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