简介：Siliconnitridenanoparticlesweresynthesizedbyradio-frequency(RF)plasmachemicalvapordeposition(PCVD)usingsilicontetrachlorideandammoniaasprecursors,andargonascarriergas.Byassumingchemicalthermodynamicequilibriuminthesystem,acomputerprogrambasedonchemicalthermodynamicswasusedtocalculatethecompositionsofthesystematdifferentinitialconcentrationsandfinaltemperatures.Atfirst,fiveelementsandthirty-fourspecieswereconsidered.Theeffectsoftemperatures,andconcentrationsofammonia,hydrogenandnitrogenontheequilibriumcompositionswereanalyzed.Itwasfoundthattheoptimalreactiontemperaturerangeshouldbe1200to1500KtoobtainthehighestconversionandyieldofSi3N4.Theinletpositionofammoniashouldbelowerthanthatofsilicontetrachloride,andbothshouldbelocatedatthetailoftheplasmatorch.Thebestmoleratioofammoniatosilicontetrachloridewasfoundtobeabout6.Later,theinfluencesofwater(andoxygen)wereconsidered,and17additionalspecieswereincludedinthecomputations.ItwasfoundthatoxygenorwatercontentintherawmaterialsshouldbeaslowaspossibleinordertohavehighnitridecontentintheproducedSi3N4.Nitrogenorhydrogenmightbeusedtoreplacesomeorevenalltheargontoimprovetheyieldofsiliconnitrideandreducethecost.Theratioofammoniatosilicontetrachlorideshouldbehighenoughtoobtainhighconversion,butnotexcessivelyhightoreducetheoxygencontentduetotheexistenceofwaterinammonia.Thesimulatedresultswereverifiedbyexperiments.