TY - GEN
T1 - Initial surface reactions mechanisms of atomic layer deposition TiO2 using Ti(OCH3)4 and H2O as precursors
AU - Zhou, Guang Fen
AU - Ren, Jie
AU - Zhang, Shao Wen
PY - 2013
Y1 - 2013
N2 - The initial surface reaction mechanisms of atomic layer deposition TiO2 using Ti(OCH3)4 and H2O as the precursors are investigated by density functional theory. The ALD process is divided into two half-reactions, i.e., Ti(OCH3)4 and H2O half-reactions. The adsorption of Ti(OCH3)4 on OH/Si(100)-2×1 surface is exothermic. However, the overall reaction of Ti(OCH3)4 is endothermic. In addition, H2O half-reactions are endothermic and thermodynamically unfavorable.
AB - The initial surface reaction mechanisms of atomic layer deposition TiO2 using Ti(OCH3)4 and H2O as the precursors are investigated by density functional theory. The ALD process is divided into two half-reactions, i.e., Ti(OCH3)4 and H2O half-reactions. The adsorption of Ti(OCH3)4 on OH/Si(100)-2×1 surface is exothermic. However, the overall reaction of Ti(OCH3)4 is endothermic. In addition, H2O half-reactions are endothermic and thermodynamically unfavorable.
KW - Atomic layer deposition
KW - Density functional theory
KW - Titanium dioxide
UR - http://www.scopus.com/inward/record.url?scp=84886313387&partnerID=8YFLogxK
U2 - 10.4028/www.scientific.net/AMR.785-786.832
DO - 10.4028/www.scientific.net/AMR.785-786.832
M3 - Conference contribution
AN - SCOPUS:84886313387
SN - 9783037858141
T3 - Advanced Materials Research
SP - 832
EP - 836
BT - Current Trends in the Development of Industry
T2 - 3rd International Conference on Chemical Engineering and Advanced Materials, CEAM 2013
Y2 - 6 July 2013 through 7 July 2013
ER -