Nanodielectrics for Energy Storage from First Principles Computations

N. Shi , R. Ramprasad
ACS symposium series 1034 9 -21

2010
ICP Etching of Tantalum Nitride using Cl2, BCl3 and CF4

D. R. Roberts , C. T. Happ , M. Miller , B. Stemile
APS Annual Gaseous Electronics Meeting Abstracts

2
2002
1
2009
CdSe, CdTe and core-shell CdSe-CdTe nanowires: A density functional study.

R. Ramprasad , Tom Sadowski
APS March Meeting Abstracts

2008
Controlling electronic structure through epitaxial strain in ZnSe/ZnTe nano-heterostructures

S. K. Yadav , S. K. Yadav , V. Sharma , R. Ramprasad
Journal of Applied Physics 118 ( 1) 015701

5
2015
Stability and electronic structure of CdSe nanorods from first principles

T. Sadowski , R. Ramprasad
Physical Review B 76 ( 23) 235310

13
2007
Dielectric properties of ultrathin SiO2 slabs

N. Shi , R. Ramprasad
Applied Physics Letters 87 ( 26) 262102

18
2005
CO on Pd(110): determination of the optimal adsorption site

R. Ramprasad , K.M. Glassford , J.B. Adams , R.I. Masel
Surface Science 360 ( 1) 31 -42

25
1996
35
2006
First principles study of CdSe quantum dots: Stability, surface unsaturations, and experimental validation

M. Yu , G. W. Fernando , R. Li , F. Papadimitrakopoulos
Applied Physics Letters 88 ( 23) 231910

85
2006
Magnetic properties of metallic ferromagnetic nanoparticle composites

R. Ramprasad , P. Zurcher , M. Petras , M. Miller
Journal of Applied Physics 96 ( 1) 519 -529

130
2004
Oxygen vacancy defects in tantalum pentoxide: a density functional study

R. Ramprasad , Michael Sadd , Doug Roberts , Tom Remmel
MRS Proceedings 747 ( 1) 1 -6

2002
Density Functional Theory Study of Transformations of Nitrogen Oxides Catalyzed by Cu-Exchanged Zeolites

W. F. Schneider , K. C. Hass , R. Ramprasad , J. B. Adams
Journal of Physical Chemistry B 102 ( 19) 3692 -3705

107
1998
Ab Initio Computational Studies of Mg Vacancy Diffusion in Doped MgB2 Aimed at Hydriding Kinetics Enhancement of the LiBH4 + MgH2 System

Yang Zhong , Hong Zhu , Leon L. Shaw , R. Ramprasad
Journal of Physical Chemistry C 114 ( 49) 21801 -21807

9
2010
Establishing the LaMnO3 Surface Phase Diagram in an Oxygen Environment: An ab Initio Kinetic Monte Carlo Simulation Study

G. Pilania , P.-X. Gao , R. Ramprasad
Journal of Physical Chemistry C 116 ( 50) 26349 -26357

15
2012
SOx Oxidation Kinetics on Pt(111) and Pd(111): First-Principles Computations Meet Microkinetic Modeling

H. N. Sharma , V. Sharma , T. Hamzehlouyan , W. Epling
Journal of Physical Chemistry C 118 ( 13) 6934 -6940

9
2014
Hydroxyapatite substituted by transition metals: experiment and theory.

M. E. Zilm , L. Chen , V. Sharma , A. McDannald
Physical Chemistry Chemical Physics 18 ( 24) 16457 -16465

100
2016
First-principles study of the valence band offset between silicon and hafnia

Blair R. Tuttle , Chunguang Tang , R. Ramprasad
Physical Review B 75 ( 23) 235324

11
2007