The Experts below are selected from a list of 240 Experts worldwide ranked by ideXlab platform
Nicholas M. Miskovsky - One of the best experts on this subject based on the ideXlab platform.
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Three‐dimensional electrostatic Potential, and Potential‐Energy Barrier, near a tip‐base junction
Applied Physics Letters, 1994Co-Authors: T. E. Sullivan, Vallorie J. Peridier, Paul H. Cutler, Nicholas M. MiskovskyAbstract:The geometry of an atomically sharp or nearly atomically sharp tip in proximity to a planar anode may be closely approximated in the prolate‐spheroidal coordinate system. An exact three‐dimensional electrostatic‐Potential solution for a free charge in such a tip/base junction is given in this letter, including calculations for both the symmetrical on‐axis case and the asymmetric off‐axis case. An exact solution for the Potential‐Energy Barrier is also given; this solution has immediate applications in three‐dimensional tunneling studies and in calculations of electron trajectories in micron‐ and submicron‐sized field‐emitter arrays.
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three dimensional electrostatic Potential and Potential Energy Barrier near a tip base junction
Applied Physics Letters, 1994Co-Authors: Lihong Pan, T. E. Sullivan, Vallorie J. Peridier, Paul H. Cutler, Nicholas M. MiskovskyAbstract:The geometry of an atomically sharp or nearly atomically sharp tip in proximity to a planar anode may be closely approximated in the prolate‐spheroidal coordinate system. An exact three‐dimensional electrostatic‐Potential solution for a free charge in such a tip/base junction is given in this letter, including calculations for both the symmetrical on‐axis case and the asymmetric off‐axis case. An exact solution for the Potential‐Energy Barrier is also given; this solution has immediate applications in three‐dimensional tunneling studies and in calculations of electron trajectories in micron‐ and submicron‐sized field‐emitter arrays.
Yi Zhao - One of the best experts on this subject based on the ideXlab platform.
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Thermal Rate Constants for the O(3P) + CH4 → OH + CH3 Reaction: The Effects of Quantum Tunneling and Potential Energy Barrier Shape
The journal of physical chemistry. A, 2016Co-Authors: Huali Zhao, Wenji Wang, Yi ZhaoAbstract:The rate constants and kinetic isotope effects for the O(3P) + CH4 reaction have been investigated with the quantum instanton method in full dimensionality. The calculated rate constants are in good agreement with the experimental values above 400 K, below which the measured values are scattered. Compared to other theoretical approaches, the quantum instanton method predicts the largest quantum tunneling effect, so it gives the largest rate constants at low temperatures. The calculated kinetic isotope effects are always much larger than 1 and increase with decreasing temperature, due to the zero-point Energy and quantum tunneling. Our calculations on different Potential Energy surfaces demonstrate that the Potential Energy Barrier shape dominates the magnitude of quantum tunneling and has a great effect on the kinetic isotope effect.
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thermal rate constants for the o 3p ch4 oh ch3 reaction the effects of quantum tunneling and Potential Energy Barrier shape
Journal of Physical Chemistry A, 2016Co-Authors: Huali Zhao, Wenji Wang, Yi ZhaoAbstract:The rate constants and kinetic isotope effects for the O(3P) + CH4 reaction have been investigated with the quantum instanton method in full dimensionality. The calculated rate constants are in good agreement with the experimental values above 400 K, below which the measured values are scattered. Compared to other theoretical approaches, the quantum instanton method predicts the largest quantum tunneling effect, so it gives the largest rate constants at low temperatures. The calculated kinetic isotope effects are always much larger than 1 and increase with decreasing temperature, due to the zero-point Energy and quantum tunneling. Our calculations on different Potential Energy surfaces demonstrate that the Potential Energy Barrier shape dominates the magnitude of quantum tunneling and has a great effect on the kinetic isotope effect.
Hong‐wen Wang - One of the best experts on this subject based on the ideXlab platform.
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Comment on effect of Al2O3 and Bi2O3 on the formation mechanism of Sn-doped Ba2Ti9O20
Journal of the American Ceramic Society, 1995Co-Authors: Hong‐wen WangAbstract:in a recent article of the Journal, Yu et al.1 reported their experimental results on the effect of Al2O3 and Bi2O3 on the formation mechanism of Sn-doped Ba2Ti9O20. They claimed that both Al2O3 and Bi2O3 can dramatically assist the formation of Sn-doped Ba2Ti9O20 but are based on different mechanisms. They concluded that first, Bi2O3 melts above 830°C and accelerates the migration of the involved reactants to form Ba2Ti9O20; second, Al2O3 can reduce the height of the Potential Energy Barrier of the formation of Ba2Ti9O20 due to the intergrowth of BaAl2Ti6O16 phase. They explained their results from a point of view that the formation of Ba2Ti9O20 is controlled by (1) the migration of reactants to the interfaces and (2) the height of the Potential-Energy Barrier of the reaction at the interfaces. However, based on their results, we feel their conclusions are incautious and may be misleading, as will be discussed later.
Dario Braga - One of the best experts on this subject based on the ideXlab platform.
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DYNAMIC PROCESSES IN THE SOLID-STATE - PROTON RELAXATION STUDIES AND Potential-Energy Barrier CALCULATIONS FOR (ARENE)M(CO)3 SPECIES - X-RAY CRYSTAL-STRUCTURES OF (1,2,3-C6H3ME3)CR(CO)3 AND (1,2,4,5-C6H2ME4)CR(CO)3
Inorganic Chemistry, 1991Co-Authors: Silvio Aime, Dario Braga, Roberto Gobetto, Fabrizia Grepioni, Alessandra OrlandiAbstract:The dynamic behavior in the solid state of (C 6 Me 6 )Cr(CO) 3 , (1,2,3-C 6 H 3 Me 3 )Cr(CO) 3 , and (1,2,4,5-C 6 H 2 Me 4 )Cr(CO) 3 has been investigated by means of variable-temperature 1 H spin−lattice relaxation time T 1 measurements and Potential Energy Barrier calculations. Structural characterization at room temperature by single-crystal X-ray diffraction has been carried out. Crystal data: space group P2 1 /n
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Dynamic processes in crystals of transition metal clusters
Materials Chemistry and Physics, 1991Co-Authors: Dario Braga, Fabrizia Grepioni, Emilio Parisini, Sandra RighiAbstract:Abstract The dynamic behaviour shown by transition metal arene-clusters in the solid state has been investigated by means of Potential Energy Barrier calculations showing that the ease of reorientation of the arene ligands depends primarily on the shape of the fragment and not on crystalline properties. Thermal motion analysis has been used to study atomic motion about the equilibrium position.
T. E. Sullivan - One of the best experts on this subject based on the ideXlab platform.
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Three‐dimensional electrostatic Potential, and Potential‐Energy Barrier, near a tip‐base junction
Applied Physics Letters, 1994Co-Authors: T. E. Sullivan, Vallorie J. Peridier, Paul H. Cutler, Nicholas M. MiskovskyAbstract:The geometry of an atomically sharp or nearly atomically sharp tip in proximity to a planar anode may be closely approximated in the prolate‐spheroidal coordinate system. An exact three‐dimensional electrostatic‐Potential solution for a free charge in such a tip/base junction is given in this letter, including calculations for both the symmetrical on‐axis case and the asymmetric off‐axis case. An exact solution for the Potential‐Energy Barrier is also given; this solution has immediate applications in three‐dimensional tunneling studies and in calculations of electron trajectories in micron‐ and submicron‐sized field‐emitter arrays.
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three dimensional electrostatic Potential and Potential Energy Barrier near a tip base junction
Applied Physics Letters, 1994Co-Authors: Lihong Pan, T. E. Sullivan, Vallorie J. Peridier, Paul H. Cutler, Nicholas M. MiskovskyAbstract:The geometry of an atomically sharp or nearly atomically sharp tip in proximity to a planar anode may be closely approximated in the prolate‐spheroidal coordinate system. An exact three‐dimensional electrostatic‐Potential solution for a free charge in such a tip/base junction is given in this letter, including calculations for both the symmetrical on‐axis case and the asymmetric off‐axis case. An exact solution for the Potential‐Energy Barrier is also given; this solution has immediate applications in three‐dimensional tunneling studies and in calculations of electron trajectories in micron‐ and submicron‐sized field‐emitter arrays.