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Materials Data on SiH2O by Materials Project

SiH2O crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one SiH2O sheet oriented in the (0, 0, 1) direction. Si4+ is bonded to three equivalent H1- and one O2- atom to form distorted corner-sharing SiH3O trigonal pyramids. There is one shorter (1.73 Å) and two longer (1.99 Å) Si–H bond length. The Si–O bond length is 1.69 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1- site, H1- is bonded in a distorted trigonal planar geometry to three equivalent Si4+ atoms. O2- is bonded in a bent 120 degrees geometry to one Si4+ and one H1- atom.

36 MATERIALS SCIENCE↗

A Chemical Kinetic Mechanism for the Ignition of Silane/Hydrogen Mixtures

A chemical kinetic reaction mechanism for the oxidation of silane/hydrogen mixtures is presented and discussed. Shock-tube ignition delay time data were used to evaluate and refine the mechanism. Good agreement between experimental results and the results predicted by the mechanism was obtained by adjusting the rate coefficient for the reaction SiH3 + O2 yields SiH2O + OH. The reaction mechanism was used to theoretically investigate the ignition characteristics of silane/hydrogen mixtures. The results revealed that over the entire range of temperature examined (800 K to 1200 K), substantial reduction in ignition delay times is obtained when silane is added to hydrogen.

Jachimowski, C. J.↗