A detailed characterization of the transient electron transport within zinc oxide, gallium nitride, and gallium arsenide

2012 ◽  
Vol 112 (12) ◽  
pp. 123722 ◽  
Author(s):  
Walid A. Hadi ◽  
Shamsul Chowdhury ◽  
Michael S. Shur ◽  
Stephen K. O'Leary
Keyword(s):  
Gallium Arsenide ◽  
Zinc Oxide ◽  
Gallium Nitride ◽  
Electron Transport ◽  
Detailed Characterization

Transient electron transport in the III–V compound semiconductors gallium arsenide and gallium nitride

2012 ◽  
Vol 24 (2) ◽  
pp. 807-813 ◽  
Author(s):  
Walid A. Hadi ◽  
Reddiprasad Cheekoori ◽  
Michael S. Shur ◽  
Stephen K. O’Leary
Keyword(s):  
Gallium Arsenide ◽  
Gallium Nitride ◽  
Electron Transport ◽  
Compound Semiconductors

Characterization of Gallium-Doped Zinc Oxide Contact on n-Type Gallium Nitride Epitaxial Layers

2009 ◽  
Vol 156 (8) ◽  
pp. H679 ◽  
Author(s):  
J. K. Sheu ◽  
K. H. Chang ◽  
M. L. Lee ◽  
J. F. Huang ◽  
K. S. Kang ◽  
...  
Keyword(s):  
Zinc Oxide ◽  
Gallium Nitride ◽  
Epitaxial Layers

Steady-State and Transient Electron Transport in ZnO: Recent Progress

2011 ◽  
Vol 1327 ◽  
Author(s):  
Walid A. Hadi ◽  
Michael Shur ◽  
Lester F. Eastman ◽  
Stephen K. O’Leary
Keyword(s):  
Zinc Oxide ◽  
Gallium Nitride ◽  
Steady State ◽  
Electron Transport ◽  
Electric Field ◽  
Thermal Equilibrium ◽  
Recent Progress ◽  
Constant Electric Field ◽  
Simulation Approach ◽  
State Electron

ABSTRACTWe briefly review some recent results on the steady-state and transient electron transport that occurs within bulk wurtzite zinc oxide. These results were obtained using an ensemble semi-classical three-valley Monte Carlo simulation approach. They showed that for electric field strengths in excess of 180 kV/cm, the steady-state electron drift velocity associated with bulk wurtzite zinc oxide exceeds that associated with bulk wurtzite gallium nitride. The transient electron transport that occurs within bulk wurtzite zinc oxide was studied by examining how electrons, initially in thermal equilibrium, respond to the sudden application of a constant electric field. These transient electron transport results demonstrated that for devices with dimensions smaller than 0.1 μm, gallium nitride based devices will offer the advantage, owing to their superior transient electron transport, while for devices with dimensions greater than 0.1 μm, zinc oxide based devices will offer the advantage, owing to their superior high-field steady-state electron transport.

Intramolecular Proton Transfer in the Isomerization of Hydroxyacetone: A Detailed Characterization Based on Reaction Force Analysis and the Bond Fragility Spectrum

2020 ◽  
Author(s):  
Wallace Derricotte ◽  
Huiet Joseph
Keyword(s):  
Chemical Potential ◽  
Reaction Force ◽  
Intramolecular Proton Transfer ◽  
Intermediate Energy ◽  
Force Analysis ◽  
Activation Energy Barrier ◽  
Detailed Characterization ◽  
Proton Transfers ◽  
Reaction Force Constant

The mechanism of isomerization of hydroxyacetone to 2-hydroxypropanal is studied within the framework of reaction force analysis at the M06-2X/6-311++G(d,p) level of theory. Three unique pathways are considered: (i) a step-wise mechanism that proceeds through formation of the Z-isomer of their shared enediol intermediate, (ii) a step-wise mechanism that forms the E-isomer of the enediol, and (iii) a concerted pathway that bypasses the enediol intermediate. Energy calculations show that the concerted pathway has the lowest activation energy barrier at 45.7 kcal mol<sup>-1</sup>. The reaction force, chemical potential, and reaction electronic flux are calculated for each reaction to characterize electronic changes throughout the mechanism. The reaction force constant is calculated in order to investigate the synchronous/asynchronous nature of the concerted intramolecular proton transfers involved. Additional characterization of synchronicity is provided by calculating the bond fragility spectrum for each mechanism.

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