Self-catalysis by aminosilanes and strong surface oxidation by O2 plasma in plasma-enhanced XXXX of high-quality @entity3758 .

@entity16773 @entity26 @entity3759 @entity45426 @entity3758 @entity28600 @entity655 @entity12138 @entity8019 @entity2145
@entity655 ( @entity655 ) has been applied to prepare high-quality ultrathin films for microelectronics, catalysis, and energy applications. The possible pathways for @entity3758 @entity655 using aminosilanes and O2 plasma have been investigated by density functional theory calculations. The @entity12138 half-reaction between @entity12138 and surface - @entity2145 is very difficult and requires a high activation free energy of 57.8 kcal mol(-1). The introduction of an aminosilane, such as BDMAS, can reduce the activation free energy to 11.0 kcal mol(-1) and the aminosilane plays the role of a self-catalyst in @entity45426 formation through the relevant half-reaction. Among the various species generated in O2 plasma, (3)O2 is inactive towards surface @entity12138 groups, similar to ordinary @entity26 gas. The other three species, (1)O2, (1)O, and (3)O, can strongly oxidize surface @entity12138 groups through one-step or stepwise pathways. In the (3)O pathway, the triplet must be converted into the singlet and follow the (1)O pathway. Meanwhile, both (1)O and (3)O can decay to (1)O2 and enter into the relevant oxidation pathway. The concept of self-catalysis of aminosilanes may be invoked to design and prepare more effective Si precursors for @entity3758 @entity8019 . At the same time, the mechanism of strong surface oxidation by O2 plasma may be exploited in the @entity655 preparation of other @entity28600 , such as @entity16773 , HfO2, ZrO2, and @entity3759 .
