Abstraction Reaction of Hydrogenated Diamond Surface with Benzoyl Peroxide as a Radical Initiator

Surface conductivity of hydrogenated diamond films.

The experimentally observed high surface conductivity of hydrogenated diamond films is explained through ab initio results as well as model calculations based on the tight-binding molecular dynamics method. Our results support the previously reported experimental results indicating that the surface conductivity of the hydrogenated diamond surfaces is due to the surface adsorption of a H(3)O(+) ...

Surface channel MESFETs on hydrogenated diamond.

Metal–semiconductor field effect transistors (MESFETs) based on hydrogen terminated diamond were fabricated according to different layouts. Aluminum gates were used on single crystal and low-roughness polycrystalline diamond substrates while gold was used for ohmic contacts. Hydrogen terminated layers were deeply investigated by means of Hall bars and transfer length structures. Room temperatur...

Ab Initio Theoretical Studies on the Kinetics of the Hydrogen Abstraction Reaction of Hydroxyl Radical with CH3CH2OCF2CHF2 (HFE-374pc2)

The hydrogen abstraction reaction of OH radical with CH3CH2OCF2CHF2 (HFE-374pc2) is investigated theoretically by semi-classical transition state theory. The stationary points on the potential energy surface of the reaction are located by using KMLYP density functional method along with 6-311++G(d,p) basis set. Vibrational anharmonicity coefficients, ...

Surface Characterization of Hydrogenated Cvd Diamond Undergraduate Thesis

Hydrogen Abstraction Reaction of Hydroxyl Radical with 1,1-Dibromoethane and 1,2-Dibromoethane Studied by Using Semi-Classical Transition State Theory

The hydrogen abstraction reaction by OH radical from CH2BrCH2Br (R1) and CH₃CHBr2 (R2) is investigated theoretically by semi-classical transition state theory. The stationary points for both reactions are located by using ωB97X-D and KMLYP density functional methods along with cc-pVTZ basis. Single-point energy calculations are performed at the QCISD(T) and CCSD(T) levels of theory with differe...