output
20072025
most citedThe Astropy Project: Sustaining and Growing a Community-oriented Open-source Project and the Latest Major Release (v5.0) of the Core Package

5k citations

Showing cond-mat.mes-hallShow all

5 papers · 1 filter

cond-mat.mes-hall2018★ 2 cited

Switching mechanism of CO2 by alkaline earth atoms decorated on g-B4N3 nanosheet

Shivam Kansara, Sanjeev K. Gupta, Yogesh Sonvane +1

The adsorption and desorption of carbon dioxide (CO2) molecule by alkaline earth metal (AEM) (Mg+2, Ca+2, Sr+2 and Ba+2) functionalized on graphitic boron nitride (g-B4N3) nanoshee…

cond-mat.mes-hall2016

Comment on Half metallicity along the edge of zigzag boron nitride nanoribbons (Phys. Rev. B 78, 205415 (2008)

Hari Mohan Rai, Rajesh Kumar, Pankaj R. Sagdeo +2

We would like to comment that the prediction of Half-mtallicity in only B edge H-passivated zigzag boron nitride nanoribbons (ZBNNR-BH), by Zheng et al.1, is not correct as their i…

cond-mat.mes-hall2016★ 21 cited

Half-metallicity in Armchair Boron Nitride Nanoribbons: A First-Principles Study

Hari Mohan Rai, Shailendra K. Saxena, Vikash Mishra +5

Using density functional theory, we predict half-metallicity in edge hydrogenated armchair boron nitride nanoribbons (ABNNRs). The predicted spin polarization is analyzed in detail…

cond-mat.mes-hall2015★ 19 cited

Intrinsic Half-metallicity in Edge Fluorinated Armchair Boron Nitride Nanoribbons

Hari Mohan Rai, Shailendra K Saxena, Vikash Mishra +5

We predict intrinsic half-metallicity in armchair boron nitride nanoribbons (ABNNRs) via edge fluorination. The stability, electronic and magnetic properties of bare and edge fluor…

cond-mat.mes-hall2013★ 1 cited

Strain energy calculations of hexagonal boron nanotubes: An ab-initio approach

S. K. Jain, P. Srivastava

An ab initio calculations have been carried out for examining the curvature effect of small diameter hexagonal boron nanotubes. The considered conformations of boron nanotubes are…