Personal Information
Entreprise/Lieu de travail
Los Alamos, NM United States
Profession
Postdoctoral Research Fellow
Secteur d’activité
Education
À propos
● Developed and characterized Si nanowires by chemical vapor deposition through a bio-template route.
● Explained the mechanism of asymmetric anisotropic growth in CdSe nanowires based on first principles density functional theory (DFT) calculations.
G. Pilania, T. Sadowski and R. Ramprasad, J. Phys. Chem. C. 113(5), 1863 (2009).
● Based on the ab initio study of antiferroelectric PbZrO3 (001) surfaces explained the surface metallic behavior of lead zirconate in presence of hydroxyl species which leads to the leakage current problems in capacitors with PbZrO3-polymer composite dielectrics.
G. Pilania, D. Q. Tan, Y. Cao, V. S. Venkataramani, Q. Chen and R. Ramprasad, J. Mater.
Mots-clés
dft
electronic properties and materials
electronic structure
computational methods
machine learning
computational design
polymer dielectrics
polarization in nanostructures
vortex instabilities
perovskite nanowires
pbtio3
oxygen adsorption
lamno3 surface
first principles thermodynamics
kmc simulations
Tout plus
Présentations
(4)Personal Information
Entreprise/Lieu de travail
Los Alamos, NM United States
Profession
Postdoctoral Research Fellow
Secteur d’activité
Education
À propos
● Developed and characterized Si nanowires by chemical vapor deposition through a bio-template route.
● Explained the mechanism of asymmetric anisotropic growth in CdSe nanowires based on first principles density functional theory (DFT) calculations.
G. Pilania, T. Sadowski and R. Ramprasad, J. Phys. Chem. C. 113(5), 1863 (2009).
● Based on the ab initio study of antiferroelectric PbZrO3 (001) surfaces explained the surface metallic behavior of lead zirconate in presence of hydroxyl species which leads to the leakage current problems in capacitors with PbZrO3-polymer composite dielectrics.
G. Pilania, D. Q. Tan, Y. Cao, V. S. Venkataramani, Q. Chen and R. Ramprasad, J. Mater.
Mots-clés
dft
electronic properties and materials
electronic structure
computational methods
machine learning
computational design
polymer dielectrics
polarization in nanostructures
vortex instabilities
perovskite nanowires
pbtio3
oxygen adsorption
lamno3 surface
first principles thermodynamics
kmc simulations
Tout plus