Publications

Journal Articles

P. P. Dholabhai*, S. Anwar, J. B. Adams, P. A. Crozier, and R. Sharma “Kinetic Lattice Monte Carlo Model for Oxygen Vacancy Diffusion in Praseodymium-Doped Ceria: Applications to Materials Design” Journal of Solid State Chemistry, 184, 811-817 (2011).

P. P. Dholabhai*, J. B. Adams, P. A. Crozier, and R. Sharma “Density Functional Study of Defect Migration in Gadolinium Doped Ceria” Physical Chemistry Chemical Physics, 12, 7904-7910 (2010).

P. P. Dholabhai*, J. B. Adams, P. A. Crozier, and R. Sharma “Oxygen Vacancy Migration in Ceria and Pr-doped Ceria: A DFT+U Study” The Journal of Chemical Physics, 132, 094104 (2010).

P. P. Dholabhai and A. K. Ray* “Adsorption and Dissociation of Water on the (0001) Surface of DHCP Americium” Physica Status Solidi B, 246, 1225-1237 (2009).

P. P. Dholabhai and A. K. Ray* “Adsorption and Dissociation of Molecular Hydrogen on the (0001) Surface of Double Hexagonal Close Packed Americium” The European Physical Journal B, 67, 183-192 (2009).

Conference Proceedings and Presentations

* - indicates presentation only, no proceedings

*P. P. Dholabhai, R. Atta-Fynn, and A. K. Ray “Adsorption and Dissociation of Molecular Oxygen on the (0001) Surface of Double Hexagonal Close Packed Americium” APS March Meeting in New Orleans, 2008.

*R. Atta-Fynn, P. P. Dholabhai, and A. K. Ray “Relaxation of Actinide Surfaces: An All Electron Study” APS Joint Meeting in Arlington, Texas Section, Fall 2006.

*P. P. Dholabhai and A. K. Ray “Adsorption of Carbon Monoxide on (100) Surface of γ-Uranium” Plutonium Futures – The Science, Pacific Grove, 2006.

*P. P. Dholabhai and A. K. Ray “A Density Functional Study of the Adsorption of Carbon and Oxygen on (100) Surface of γ-Uranium” APS March Meeting in Baltimore, 2006.

*P. P. Dholabhai and A. K. Ray “A Density Functional Study of the Adsorption of Oxygen on (100) Surface of γ-Uranium” MRS Fall Meeting in Boston, 2005.