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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
Published: 4/6/2012
Authors: 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
Abstract: 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 ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=909707

2. Rotational Grain Boundaries in Graphene
Published: 5/12/2011
Authors: Eric J Cockayne, Gregory M. Rutter, N Guisinger, Jason Crain, Joseph A Stroscio, Phillip First
Abstract: 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 ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=906586

3. Computational study of the dielectric properties of [La,Sc]^d2^O^d3^ solid solutions
Published: 7/11/2010
Authors: Hiroyoshi Momida, Eric J Cockayne, Naoto Umezawa, Takahisa Ohno
Abstract: 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 ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=903889

4. Oxygen Vacancies in N doped anatase TiO2: Experiment and first principles calculations
Published: 12/27/2009
Authors: Joseph C Woicik, Abdul K. Rumaiz, Eric J Cockayne, H. Y. Lin, G. Hassnain Jaffari, S. Ismat Shah
Abstract: Abdul K. Rumaiz; J.C. Woicik; E. Cockayne; H.Y. Lin; G. Hassnain Jaffari and S. Ismat Shah
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=903541

5. Contributions of First-Principles Calculations to Understanding Structure-Property Relationships in Perovksites
Published: 9/1/2008
Author: Eric J Cockayne
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=854235

6. Effect of Ionic Substitution on the Structure and Dielectric Properties of Hafnia: A First Principles Study
Published: 4/15/2008
Author: Eric J Cockayne
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=854413

7. The Effect of Nearest Neighbor [Pb-O] Divacancy Pairs on the Ferroelectric-Relaxor Transition in Nano-Ordered Pb(Sc1/2Nb1/2)O3
Published: 4/1/2008
Authors: Benjamin P Burton, Silvia Tinte, Eric J Cockayne, U V Waghmare
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=854374

8. The Use of Apertures to Create Discrete Combinatorial Libraries Using Pulsed Laser Deposition
Published: 5/18/2007
Authors: Nabil Bassim, Peter K. Schenck, Eugene Donev, Edwin J Heilweil, Eric J Cockayne, Martin L Green, Leonard Feldman
Abstract: 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 ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=851029

9. Influence of Oxygen Vacancies on the Dielectric Properties of Hafnia
Published: 3/1/2007
Author: Eric J Cockayne
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=854316

10. Effects of Vacancies on Properties of Relaxor Ferroelectrics: A First-Principles Study
Published: 2/13/2007
Authors: L Bellaiche, Jorge Iniguez, Eric J Cockayne, Benjamin P Burton
Abstract: 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 ...
http://www.nist.gov/manuscript-publication-search.cfm?pub_id=850976