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Author: Eric Cockayne
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1. Time dependent CO2 sorption hysteresis in a one-dimensional microporous octahedral molecular sieve
Laura Espinal, Winnie K Wong-Ng, Andrew John Allen, Daniel W Siderius, Chad R Snyder, Eric J Cockayne, Lan (Lan) Li, James A. Kaduk, Anais E. Espinal, Steven L. Suib, Chun Chiu
A critical challenge in the development of novel carbon capture materials with engineered porous architectures is to understand and control the phenomenon of sorption hysteresis, whereby the path to adsorption of gas molecules by the porous host diff ...
2. Rotational Grain Boundaries in Graphene
Eric J Cockayne, Gregory M. Rutter, N Guisinger, Jason Crain, Joseph A Stroscio, Phillip First
Defects in graphene are of interest for their effect on electronic transport in this two-dimensional
material. Point defects of typically two-fold and three-fold symmetry have long been observed in
scanning tunneling microscopy (STM) studies of gra ...
3. Computational study of the dielectric properties of
[La,Sc]^d2^O^d3^ solid solutions
Hiroyoshi Momida, Eric J Cockayne, Naoto Umezawa, Takahisa Ohno
First-principles calculations were used to compute the dielectric permittivities of hypothetical [La,Sc]2O3 solid solutions in the cubic (bixbyite) and hexagonal La2O3 phases. Dielectric enhancement is predicted at small Sc concentrations due to the ...
4. Oxygen Vacancies in N doped anatase TiO2: Experiment and first principles calculations
Joseph C Woicik, Abdul K. Rumaiz, Eric J Cockayne, H. Y. Lin, G. Hassnain Jaffari, S. Ismat Shah
Abdul K. Rumaiz; J.C. Woicik; E. Cockayne; H.Y. Lin; G. Hassnain Jaffari and S. Ismat Shah
5. Contributions of First-Principles Calculations to Understanding Structure-Property Relationships in Perovksites
Eric J Cockayne
6. Effect of Ionic Substitution on the Structure and Dielectric Properties of Hafnia: A First Principles Study
Eric J Cockayne
7. The Effect of Nearest Neighbor [Pb-O] Divacancy Pairs on the Ferroelectric-Relaxor Transition in Nano-Ordered Pb(Sc1/2Nb1/2)O3
Benjamin P Burton, Silvia Tinte, Eric J Cockayne, U V Waghmare
8. The Use of Apertures to Create Discrete Combinatorial Libraries Using Pulsed Laser Deposition
Nabil Bassim, Peter K. Schenck, Eugene Donev, Edwin J Heilweil, Eric J Cockayne, Martin L Green, Leonard Feldman
In Pulsed-Laser Deposition (PLD), there are many processing parameters that influence film properties which may be studied such as substrate-target distance, background reactive gas pressure, laser energy, substrate temperature and composition in mul ...
9. Influence of Oxygen Vacancies on the Dielectric Properties of Hafnia
Eric J Cockayne
10. Effects of Vacancies on Properties of Relaxor Ferroelectrics: A First-Principles Study
L Bellaiche, Jorge Iniguez, Eric J Cockayne, Benjamin P Burton
A first-principles-based model is developed to investigate the influence of lead vacancies on the properties of relaxor ferroelectric Pb(Sc1/2Nb1/2)O3 (PSN). Lead vacancies generate large, inhomogeneous, electric fields that reduce barriers between ...