Theoretical and kinetic study of the H-atom abstraction reactions by Ḣ atom from alkyl cyclohexanes.

Reaction kinetics of hydrogen atom abstraction from six alkyl cyclohexanes, methyl cyclohexane (MCH), ethyl cyclohexane (ECH), -propyl cyclohexane (PCH), iso-propyl cyclohexane (iPCH), -butyl cyclohexane (BCH) and iso-butyl cyclohexane (iBCH), by the Ḣ atom are systematically studied in this work. The M06-2X method combined with the 6-311++G(d,p) basis set is used to perform geometry optimization, frequency analysis and zero-point energy calculations for all species. The intrinsic reaction coordinate (IRC) calculations are performed to confirm the transition states connecting the reactants and products correctly.

Kinetic Properties Study of H Atom Abstraction by CHȮ Radicals from Fuel Molecules with Different Functional Groups.

The detailed kinetic properties of hydrogen atom abstraction by methylperoxy (CHȮ) radicals from alkanes, alkenes, dienes, alkynes, ethers, and ketones are systematically studied in this work. Geometry optimization, frequency analysis, and zero-point energy corrections were performed for all species at the M06-2X/6-311++G(d,p) level of theory. The intrinsic reaction coordinate calculation was consistently performed to ensure that the transition state connects the correct reactants and products, and one-dimensional hindered rotor scanning results were performed at the M06-2X/6-31G level of theory.

Flexible electric-double-layer thin film transistors based on a vertical InGaZnO channel.

Flexible electric-double-layer (EDL) thin film transistors (TFTs) based on a vertical InGaZnO (IGZO) channel are fabricated at room temperature. Such TFTs show a low operation voltage of 1.0 V due to the large specific gate capacitance of 3.