67 citations · 69 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2014★ 1 cited
Isotope effect, Thermodynamic and Elastic properties of ZrCo and ZrCoH3: An ab-initio study
D. Chattaraj, S. C. Parida, Smruti Dash +1
The intermetallic compound ZrCo and its hydrides are important materials for their use in hydrogen isotope storage. The dynamical, thermodynamic and elastic properties of ZrCo and…
cond-mat.mtrl-sci2013★ 1 cited
On the isotope effects of ZrX2 (X = H, D and T): A First-principles study
D. Chattaraj, S. C. Parida, Smruti Dash +1
Zirconium hydride is an important material for storage of hydrogen isotopes. Here we report the structural, electronic, vibrational and thermodynamic properties of ZrH2, ZrD2 and Z…
cond-mat.mtrl-sci2010★ 67 cited
The third conformer of graphane: A first principles DFT based study
A. Bhattacharya, S. Bhattacharya, C. Majumder +1
We propose, on the basis of our first principles density functional based calculations, a new isomer of graphane, in which the C-H bonds of a hexagon alternate in 3-up, 3-down fash…