**Please read the paper on the following link:**

https://1worldcontent.com/ess/9266.pdf

**Abstract:**

It is well established that oxide defects are a major threat concerning the reliability of electronic devices. Point defects like the oxygen vacancy and hydrogen related defects like the hydrogen bridge and the hydroxyl-E\' center can trap charges from the Si substrate during operation. Here we present a statistical study of parameters by analyzing 144 defects of each type in amorphous SiO2 . We use density functional theory in conjunction with a hybrid functional to provide a large and accurate dataset of defect parameters such as the relaxation energy or the charge transition level and link them to bias temperature instability in nMOSFET devices.

Statistical Ab Initio Analysis of Electron Trapping Oxide Defects in the Si/SiO2 Network

Sulfur-containing polymer is promising to the application of the optical, anti-corrosion and antifouling materials. Using sulfur-containing C1 building blocks [i.e. carbonyl sulfide (COS), carbon disulfide (CS2)] to copolymerize with epoxides have been rapidly developed in our group and others. This talk reports two metal-free routes for the reaction of COS with epoxides.
1) The inhibition of oxygen-sulfur exchange reaction (O-S ER)1 for synthesizing poly(monothiocarbonate)s. Two types of organocatalysts will present, one is the combination of Lewis bases including amidine, guanidine, or quaternary onium salts with triethyl borane.2 A highly transparent and colorless poly(monothiocarbonate)s are obtained with > 99% tail-to-head content and high Mns of up to 92.5 kg/mol. O-S ER that would generate random thiocarbonate and carbonate units, were totally suppressed in most instances. The turnover frequency (TOF) of these Lewis pairs are as high as 240 h-1 at ambient temperature. The other is the combination of organic bases and thioureas via cooperative catalysis.3 Poly(monothiocarbonate)s are obtained with 100 % alternating degree, > 99% tail-to-head content, high Mns of up to 98.4 kg/mol and narrow molecular weight distributions (1.13-1.23). TOFs of the catalysts are up to 112 h−1 at 25 °C. 
2) The utilization of O-S ER for synthesizing poly(thioether)s using COS and epoxides as the starting materials.4 This route undergoes the coupling reaction of COS with epoxides, decarboxylative ring-opening polymerization (ROP) of the generated mixed cyclic thiocarbonates with releasing CO2(a little bit COS). And this method is also applied to the reaction of carbon disufide with epoxides, providing a new pathway to produce COS and poly(thioether)s simultaneously. 
Finally, we’ll present the transformation of poly(monothiocarbonate)s to poly(thioether)s by using O-S ER process, which is a polymer A to polymer B method for recycling the polymers.

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Statistical Ab Initio Analysis of Electron Trapping Oxide Defects in the Si/SiO2 Network

Organocatalytic Synthesis of Sulfur-containing Polymers

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