Publications

Journal Articles

P. P. Dholabhai* and J. B. Adams “A Blend of First-Principles and Kinetic Lattice Monte Carlo Computation to Optimize Samarium Doped Ceria” Invited Article in the Focus Issue – Recent Advances in First Principles Computations in Materials Research – Journal of Materials Science, 47, 7530-7541 (2012).

P. P. Dholabhai* and H. G. Yu “Exploring the Ring Opening Pathways in Reaction of Morpholinyl Radicals with Oxygen” The Journal of Physical Chemistry A, 116, 7123-7127 (2012).

K. D. Weeks*, S. G. Thomas, P. P. Dholabhai, and J. B. Adams “Characterization and Analysis of Epitaxial Silicon Phosphorus Alloys for use in n-channel Transistors” Thin Solid Films, 520, 3158-3162 (2012).

P. P. Dholabhai*, S. Anwar, J. B. Adams, P. A. Crozier, and R. Sharma “Predicting the Optimal Dopant Concentration in Gadolinium Doped Ceria: A Kinetic Lattice Monte Carlo Approach” Modelling and Simulation in Materials Science and Engineering, 20, 015004 (2012).

P. P. Dholabhai*, J. B. Adams, P. A. Crozier, and R. Sharma “In Search of Enhanced Electrolyte Materials: A Case Study of Doubly Doped Ceria” Journal of Materials Chemistry, 21, 18991-1899 (2011).

Conference Proceedings and Presentations

* - indicates presentation only, no proceedings

*J. B. Adams, P. P. Dholabhai, S. Anwar, P. A. Crozier, and R. Sharma “Kinetic Lattice Monte Carlo Model for Oxygen Vacancy Diffusion in Doped Ceria: Applications to Materials Design” MRS Fall Meeting in Boston, 2010.

*P. P. Dholabhai, J. B. Adams, P. A. Crozier, and R. Sharma “A First Principles Study of Vacancy Migration in Ceria and Pr-doped Ceria” Spring School on Thermal Conductivity and Related Transport Properties of Oxides, University of Florida, Gainesville, 2009.

*P. P. Dholabhai and A. K. Ray “Adsorption and Dissociation of Molecular H2 on the (0001) Surface of DHCP Americium” APS March Meeting in Pittsburgh, 2009.

*P. P. Dholabhai and A. K. Ray “Adsorption and Dissociation Water on the (0001) Surface of DHCP Americium” APS March Meeting in Pittsburgh, 2009.

*P. P. Dholabhai, R. Atta-Fynn, and A. K. Ray “A Density Functional Study of Atomic Hydrogen and Oxygen Chemisorption on the (0001) Surface of Double Hexagonal Close Packed Americium” APS March Meeting in New Orleans, 2008.