| Oxygen vacancy migration in ceria and Pr-doped ceria: A DFT+ U study PP Dholabhai, JB Adams, P Crozier, R Sharma The Journal of chemical physics 132 (9), 2010 | 151 | 2010 |
| A density functional study of defect migration in gadolinium doped ceria PP Dholabhai, JB Adams, P Crozier, R Sharma Physical Chemistry Chemical Physics 12 (28), 7904-7910, 2010 | 94 | 2010 |
| Kinetic lattice Monte Carlo model for oxygen vacancy diffusion in praseodymium doped ceria: Applications to materials design PP Dholabhai, S Anwar, JB Adams, P Crozier, R Sharma Journal of Solid State Chemistry 184 (4), 811-817, 2011 | 62 | 2011 |
| Reduced grain boundary energies in rare-earth doped MgAl2O4 spinel and consequent grain growth inhibition MM Hasan, PP Dholabhai, S Dey, BP Uberuaga, RHR Castro Journal of the European Ceramic Society 37 (13), 4043-4050, 2017 | 56 | 2017 |
| Characterization and analysis of epitaxial silicon phosphorus alloys for use in n-channel transistors KD Weeks, SG Thomas, P Dholabhai, J Adams Thin Solid Films 520 (8), 3158-3162, 2012 | 51 | 2012 |
| Interface energies of nanocrystalline doped ceria: effects of manganese segregation L Wu, JA Aguiar, PP Dholabhai, T Holesinger, T Aoki, BP Uberuaga, ... The Journal of Physical Chemistry C 119 (49), 27855-27864, 2015 | 48 | 2015 |
| Termination chemistry-driven dislocation structure at SrTiO3/MgO heterointerfaces PP Dholabhai, G Pilania, JA Aguiar, A Misra, BP Uberuaga Nature communications 5 (1), 5043, 2014 | 48 | 2014 |
| Temperature dependence of the radiation tolerance of nanocrystalline pyrochlores A2Ti2O7 (A= Gd, Ho and Lu) J Wen, C Sun, PP Dholabhai, Y Xia, M Tang, D Chen, DY Yang, YH Li, ... Acta materialia 110, 175-184, 2016 | 46 | 2016 |
| Stabilization of MgAl2O4 spinel surfaces via doping MM Hasan, PP Dholabhai, RHR Castro, BP Uberuaga Surface Science 649, 138-145, 2016 | 41 | 2016 |
| A blend of first-principles and kinetic lattice Monte Carlo computation to optimize samarium-doped ceria PP Dholabhai, JB Adams Journal of Materials Science 47, 7530-7541, 2012 | 41 | 2012 |
| Predicting the optimal dopant concentration in gadolinium doped ceria: a kinetic lattice Monte Carlo approach PP Dholabhai, S Anwar, JB Adams, PA Crozier, R Sharma Modelling and Simulation in Materials Science and Engineering 20 (1), 015004, 2011 | 41 | 2011 |
| Structure and segregation of dopant–defect complexes at grain boundaries in nanocrystalline doped ceria PP Dholabhai, JA Aguiar, L Wu, TG Holesinger, T Aoki, RHR Castro, ... Physical Chemistry Chemical Physics 17 (23), 15375-15385, 2015 | 40 | 2015 |
| In search of enhanced electrolyte materials: a case study of doubly doped ceria PP Dholabhai, JB Adams, PA Crozier, R Sharma Journal of Materials Chemistry 21 (47), 18991-18997, 2011 | 38 | 2011 |
| A density functional study of carbon monoxide adsorption on (1 0 0) surface of γ-uranium PP Dholabhai, AK Ray Journal of alloys and compounds 444, 356-362, 2007 | 38 | 2007 |
| Ab initio study of the stable phases of 1: 1 tantalum nitride M Grumski, PP Dholabhai, JB Adams Acta materialia 61 (10), 3799-3807, 2013 | 37 | 2013 |
| Improving the thermodynamic stability of aluminate spinel nanoparticles with rare earths MM Hasan, S Dey, N Nafsin, J Mardinly, PP Dholabhai, BP Uberuaga, ... Chemistry of Materials 28 (14), 5163-5171, 2016 | 36 | 2016 |
| Point defect–grain boundary interactions in MgO: an atomistic study BP Uberuaga, XM Bai, PP Dholabhai, N Moore, DM Duffy Journal of Physics: Condensed Matter 25 (35), 355001, 2013 | 36 | 2013 |
| Linking Interfacial Step Structure and Chemistry with Locally Enhanced Radiation‐Induced Amorphization at Oxide Heterointerfaces JA Aguiar, PP Dholabhai, Z Bi, Q Jia, EG Fu, YQ Wang, T Aoki, J Zhu, ... Advanced Materials Interfaces 1 (4), 1300142, 2014 | 34 | 2014 |
| Semicoherent oxide heterointerfaces: Structure, properties, and implications BP Uberuaga, PP Dholabhai, G Pilania, A Chen APL Materials 7 (10), 2019 | 27 | 2019 |
| Defect interactions with stepped CeO2/SrTiO3 interfaces: Implications for radiation damage evolution and fast ion conduction PP Dholabhai, JA Aguiar, A Misra, BP Uberuaga The Journal of chemical physics 140 (19), 2014 | 25 | 2014 |
