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Livres
Articles (36)
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Oxygen vacancy migration in ceria and Pr-doped ceria: A DFT+U study

Dholabhai, Pratik P., Adams, James B., Crozier, Peter, Sharma, Renu

Journal:

The Journal of Chemical Physics

Année:

2010

Langue:

english

Fichier:

PDF, 742 KB

english, 2010

An ab initio study of the adsorption and dissociation of molecular oxygen on the (0 0 0 1) surface of double hexagonal close-packed americium

Pratik P. Dholabhai, Raymond Atta-Fynn, Asok K. Ray

Journal:

Physica B: Condensed Matter

Année:

2008

Langue:

english

Fichier:

PDF, 1.62 MB

english, 2008

Kinetic lattice Monte Carlo model for oxygen vacancy diffusion in praseodymium doped ceria: Applications to materials design

Pratik P. Dholabhai, Shahriar Anwar, James B. Adams, Peter Crozier, Renu Sharma

Journal:

Journal of Solid State Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 943 KB

english, 2011

Adsorption and dissociation of water on the (0001) surface of double hexagonal close packed americium

Pratik P. Dholabhai, Asok K. Ray

Journal:

physica status solidi (b)

Année:

2009

Langue:

english

Fichier:

PDF, 902 KB

english, 2009

A density functional study of carbon monoxide adsorption on (1 0 0) surface of γ-uranium

Pratik P. Dholabhai, Asok K. Ray

Journal:

Journal of Alloys and Compounds

Année:

2007

Langue:

english

Fichier:

PDF, 413 KB

english, 2007

A blend of first-principles and kinetic lattice Monte Carlo computation to optimize samarium-doped ceria

Dholabhai, Pratik P., Adams, James B.

Journal:

Journal of Materials Science

Année:

2012

Langue:

english

Fichier:

PDF, 516 KB

english, 2012

Ab initio study of the stable phases of 1:1 tantalum nitride

Grumski, Michael, Dholabhai, Pratik P., Adams, James B.

Journal:

Acta Materialia

Année:

2013

Langue:

english

Fichier:

PDF, 938 KB

english, 2013

Electronic structure and quantum dynamics of photoinitiated dissociation of O2 on rutile TiO2 nanocluster

Dholabhai, Pratik P., Yu, Hua-Gen

Journal:

The Journal of Chemical Physics

Année:

2013

Langue:

english

Fichier:

PDF, 2.60 MB

english, 2013

A density functional study of defect migration in gadolinium doped ceria

Dholabhai, Pratik P., Adams, James B., Crozier, Peter, Sharma, Renu

Journal:

Physical Chemistry Chemical Physics

Année:

2010

Langue:

english

Fichier:

PDF, 1.13 MB

english, 2010

Linking Interfacial Step Structure and Chemistry with Locally Enhanced Radiation-Induced Amorphization at Oxide Heterointerfaces

Aguiar, Jeffery A., Dholabhai, Pratik P., Bi, Zhenxing, Jia, Quanxi, Fu, Engang G., Wang, Yongqiang Q., Aoki, Toshihiro, Zhu, Jiangtao, Misra, Amit, Uberuaga, Blas. P.

Journal:

Advanced Materials Interfaces

Année:

2014

Langue:

english

Fichier:

PDF, 2.71 MB

english, 2014

Point defect–grain boundary interactions in MgO: an atomistic study

Uberuaga, Blas Pedro, Bai, Xian-Ming, Dholabhai, Pratik P, Moore, Natalie, Duffy, Dorothy M

Journal:

Journal of Physics Condensed Matter

Année:

2013

Langue:

english

Fichier:

PDF, 2.87 MB

english, 2013

Termination chemistry-driven dislocation structure at SrTiO3/MgO heterointerfaces

Dholabhai, Pratik P., Pilania, Ghanshyam, Aguiar, Jeffery A., Misra, Amit, Uberuaga, Blas P.

Journal:

Nature Communications

Année:

2014

Langue:

english

Fichier:

PDF, 1.96 MB

english, 2014

Exploring the Ring-Opening Pathways in the Reaction of Morpholinyl Radicals with Oxygen Molecule

Dholabhai, Pratik P., Yu, Hua-Gen

Journal:

Journal of Physical Chemistry A

Année:

2012

Langue:

english

Fichier:

PDF, 1.16 MB

english, 2012

In search of enhanced electrolyte materials: a case study of doubly doped ceria

Dholabhai, Pratik P., Adams, James B., Crozier, Peter A., Sharma, Renu

Journal:

Journal of Materials Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 339 KB

english, 2011

Defect interactions with stepped CeO2/SrTiO3 interfaces: Implications for radiation damage evolution and fast ion conduction

Dholabhai, Pratik P., Aguiar, Jeffery A., Misra, Amit, Uberuaga, Blas P.

Journal:

The Journal of Chemical Physics

Année:

2014

Langue:

english

Fichier:

PDF, 3.26 MB

english, 2014

AN AB INITIO STUDY OF CHARGE STATE EFFECTS ON THE USE OF AND Ag 2 FOR CATALYTIC OXIDATION OF CO

DHOLABHAI, PRATIK P., RAY, ASOK K.

Journal:

Journal of Theoretical and Computational Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 796 KB

english, 2005

First-principles Study of Defect Migration in RE-doped Ceria (RE = Pr, Gd)

Dholabhai, Pratik, Adams, James, Crozier, Peter, Sharma, Renu

Journal:

MRS Proceedings

Année:

2011

Langue:

english

Fichier:

PDF, 446 KB

english, 2011

Structure and segregation of dopant–defect complexes at grain boundaries in nanocrystalline doped ceria

Dholabhai, Pratik P., Aguiar, Jeffery A., Wu, Longjia, Holesinger, Terry G., Aoki, Toshihiro, Castro, Ricardo H. R., Uberuaga, Blas P.

Journal:

Physical Chemistry Chemical Physics

Année:

2015

Langue:

english

Fichier:

PDF, 3.42 MB

english, 2015

Predicting the optimal dopant concentration in gadolinium doped ceria: a kinetic lattice Monte Carlo approach

Dholabhai, Pratik P, Anwar, Shahriar, Adams, James B, Crozier, Peter A, Sharma, Renu

Journal:

Modelling and Simulation in Materials Science and Engineering

Année:

2012

Langue:

english

Fichier:

PDF, 435 KB

english, 2012

Orientation-specific amorphization and intercalated recrystallization at ion-irradiated SrTiO3/MgO interfaces

Aguiar, Jeffery A., Zhuo, Mujin, Bi, Zhenxing, Fu, Engang, Wang, Yongqiang, Dholabhai, Pratik P., Misra, Amit, Jia, Quanxi, Uberuaga, Blas P.

Journal:

Journal of Materials Research

Année:

2014

Langue:

english

Fichier:

PDF, 1.16 MB

english, 2014

A density functional study of atomic oxygen and carbon adsorptions on (100) surface of γ-Uranium

Dholabhai, Pratik P, Ray, Asok K

Journal:

Physica Scripta

Année:

2007

Langue:

english

Fichier:

PDF, 390 KB

english, 2007

Interface Energies of Nanocrystalline Doped Ceria: Effects of Manganese Segregation

Wu, Longjia, Aguiar, Jeffery A., Dholabhai, Pratik P., Holesinger, Terry, Aoki, Toshihiro, Uberuaga, Blas P., Castro, Ricardo H. R.

Journal:

The Journal of Physical Chemistry C

Année:

2015

Langue:

english

Fichier:

PDF, 2.08 MB

english, 2015

Stabilization of MgAl2O4 spinel surfaces via doping

Hasan, Md.M., Dholabhai, Pratik P., Castro, Ricardo H.R., Uberuaga, Blas P.

Journal:

Surface Science

Année:

2016

Langue:

english

Fichier:

PDF, 1.90 MB

english, 2016

Atomic-Scale Structure and Stability of the Low-Index Surfaces of Pyrochlore Oxides

Dholabhai, Pratik P., Perriot, Romain, Uberuaga, Blas P.

Journal:

The Journal of Physical Chemistry C

Année:

2016

Langue:

english

Fichier:

PDF, 3.24 MB

english, 2016

Improving the Thermodynamic Stability of Aluminate Spinel Nanoparticles with Rare Earths

Hasan, Md M., Dey, Sanchita, Nafsin, Nazia, Mardinly, John, Dholabhai, Pratik P., Uberuaga, Blas P., Castro, Ricardo H. R.

Journal:

Chemistry of Materials

Année:

2016

Langue:

english

Fichier:

PDF, 2.63 MB

english, 2016

Temperature Dependence Discontinuity in the Stability of Manganese-Doped Ceria Nanocrystals

Wu, Longjia, Dholabhai, Pratik P., Uberuaga, Blas P., Castro, Ricardo H. R.

Journal:

Crystal Growth & Design

Année:

2017

Langue:

english

Fichier:

PDF, 2.23 MB

english, 2017

Disorder-induced transition from grain boundary to bulk dominated ionic diffusion in pyrochlores

Perriot, Romain, Dholabhai, Pratik P, Uberuaga, Blas Pedro

Journal:

Nanoscale

Année:

2017

Langue:

english

Fichier:

PDF, 7.64 MB

english, 2017

Reduced grain boundary energies in rare-earth doped MgAl 2 O 4 spinel and consequent grain growth inhibition

Hasan, Md M., Dholabhai, Pratik P., Dey, Sanchita, Uberuaga, Blas P., Castro, Ricardo H.R.

Journal:

Journal of the European Ceramic Society

Année:

2017

Langue:

english

Fichier:

PDF, 1.88 MB

english, 2017

On the mobility of carriers at semi-coherent oxide heterointerfaces

Dholabhai, Pratik P., Martínez, Enrique, Brown, Nicholas T., Uberuaga, Blas Pedro

Journal:

Physical Chemistry Chemical Physics

Année:

2017

Langue:

english

Fichier:

PDF, 5.72 MB

english, 2017

ChemInform Abstract: Improving the Thermodynamic Stability of Aluminate Spinel Nanoparticles with Rare Earths.

Hasan, Md M., Dey, Sanchita, Nafsin, Nazia, Mardinly, John, Dholabhai, Pratik P., Uberuaga, Blas P., Castro, Ricardo H. R.

Journal:

ChemInform

Année:

2016

Langue:

english

Fichier:

PDF, 22 KB

english, 2016

Influence of Chemistry and Misfit Dislocation Structure on Dopant Segregation at Complex Oxide Heterointerfaces

Dholabhai, Pratik P., Martinez, Enrique, Uberuaga, Blas P.

Journal:

Advanced Theory and Simulations

Année:

2018

Langue:

english

Fichier:

PDF, 2.19 MB

english, 2018

Beyond Coherent Oxide Heterostructures: Atomic-Scale Structure of Misfit Dislocations

Dholabhai, Pratik P., Uberuaga, Blas P.

Journal:

Advanced Theory and Simulations

Année:

2019

Fichier:

PDF, 1.82 MB

2019

Atomic-scale structure of misfit dislocations in CeO 2 /MgO heterostructures and thermodynamic stability of dopant–defect complexes at the heterointerface

Dholabhai, Pratik P.

Journal:

Physical Chemistry Chemical Physics

Année:

2019

Langue:

english

Fichier:

PDF, 4.88 MB

english, 2019

Atomic-scale structure of misfit dislocations in CeO 2 /MgO heterostructures and thermodynamic stability of dopant–defect complexes at the heterointerface

Dholabhai, Pratik P.

Journal:

Physical Chemistry Chemical Physics

Année:

2019

Fichier:

PDF, 4.88 MB

2019

Semicoherent oxide heterointerfaces: Structure, properties, and implications

Uberuaga, Blas Pedro, Dholabhai, Pratik P., Pilania, Ghanshyam, Chen, Aiping

Journal:

APL Materials

Année:

2019

Langue:

english

Fichier:

PDF, 7.76 MB

english, 2019

Role of Symmetry, Geometry, and Termination Chemistry on Misfit Dislocation Patterns at Semicoherent Heterointerfaces

Pilania, Ghanshyam, Dholabhai, Pratik P., Uberuaga, Blas P.

Journal:

Matter

Année:

2020

Fichier:

PDF, 4.66 MB

2020