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You searched on: Author: Eric Cockayne

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1. Reference Diffraction Patterns, Microstructure, and Pore Size Distribution for the Copper (II) benzene-1,3,5-tricarboxylate Metal Organic Framework (Cu-BTC) Compounds
Published: 3/1/2015
Authors: Winnie K Wong-Ng, James A. Kaduk, Daniel W Siderius, Andrew John Allen, Laura Espinal, Brad Boyerinas, Igor Levin, Matthew Suchomel, Jan Ilavsky, Eric J Cockayne, Hui Wu
Abstract: Cu-paddle-wheel-based Cu3(BTC)2 (nicknamed Cu-BTC, where BTC ≡ benzene 1,3,5-tricarboxylate) is a metal organic framework (MOF) compound that adopts a zeolite topology. We have determined the pore size distribution using the Gelb and Gubbins te ...

2. First-principles Studies of Carbon Dioxide Adsorption in Cryptomelane/Hollandite-Type Manganese Dioxide
Published: 8/6/2013
Authors: Lan Li, Eric J Cockayne, Laura Espinal, Winnie K Wong-Ng
Abstract: Carbon capture with porous solid state materials requires temperature and/or pressure cycles to absorb and then desorb carbon dioxide (CO2). A critical challenge in developing engineered materials for low-energy-cost carbon capture and storage app ...

3. Carbon Storage Properties of OMS-2 Manganese Oxide
Published: 4/10/2012
Authors: Lan (Lan) Li, Eric J Cockayne, Laura Espinal, Winnie K Wong-Ng
Abstract: Manganese oxide OMS-2 material, also known as alpha-MnO2, exhibits CO2 sorption hysteresis at pressures > 7 bar. Our experiments show that the hysteretic behavior strongly depends on time, temperature and pressure. To understand the atomic structures ...

4. 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 ...

5. 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 ...

6. 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 ...

7. 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

8. Contributions of First-Principles Calculations to Understanding Structure-Property Relationships in Perovksites
Published: 9/1/2008
Author: Eric J Cockayne

9. Effect of Ionic Substitution on the Structure and Dielectric Properties of Hafnia: A First Principles Study
Published: 4/15/2008
Author: Eric J Cockayne

10. 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

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