0000-0002-6075-2007 Employment
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Publications (33)
- Emergence of band anti-crossing and the semi-metallic electronic structure of Janus Ti2N2XI (X = Cl, Br) monolayers Save
- First principles predictions of structural, electronic and topological properties of two-dimensional Janus Ti2N2XI (X = Br, Cl) structures Save
- First principles insights into the relative stability, electronic and catalytic properties of core–shell, Janus and mixed structural patterns for bimetallic Pd–X nano-alloys (X = Co, Ni, Cu, Rh, Ag, Ir, Pt, Au) Save
- Understanding the Trend in Core–Shell Preferences for Bimetallic Nanoclusters: A Machine Learning Approach Save
- Effect of Mg Doping on Structural, Alloying, Electronic, Optical, and Bactericidal Properties of CunAg25–n Nanoclusters: A Computational Study Save
- First Principles Study of Structure, Alloying and Electronic Properties of Mg-doped CuAg Nanoalloys Save
- Thermochemical stability, and electronic and dielectric properties of Janus bismuth oxyhalide BiOX (X = Cl, Br, I) monolayers Save
- Ultra-small Cd@NiAg and Cr@NiAg nano-clusters with enhanced mixing Save
- Cd/Cr dopings in CuAg nano-clusters: a transition towards strong alloying Save
- Impact of bi-axial strain on the structural, electronic and optical properties of photo-catalytic bulk bismuth oxyhalides Save