Bishwajit Boruah

collaborators

2 papers

cond-mat.mtrl-sci2022

Alloying Ratio Versus Cluster Size for Reversible Hydrogen Storage in Ni Doped Small Mg Clusters: Dispersion Corrected DFT Study

Bishwajit Boruah, Bulumoni Kalita

Dispersion corrected density functional theory ( $ω$ B97X-D DFT) method is used to study the molecular hydrogen adsorption in $N i_{n} M g_{m}$ $(1 \geq n \geq 3, 1 \geq m \geq 9)$ clusters. All…

cond-mat.mtrl-sci2021

Accentuating the Competency of $3 d$ Transition Metal Doped $M g_{4}$ Clusters towards Molecular Hydrogen Adsorption: A DFT Study

Bishwajit Boruah, Bulumoni Kalita

Density functional theory $(D F T)$ studies show that doping of $3 d T M$ atoms into $M g_{4}^{0, +} (T M M g_{3}^{0, +})$ can alter the endothermic nature of molecular hydrogen adsorption on ba…

Alloying Ratio Versus Cluster Size for Reversible Hydrogen Storage in Ni Doped Small Mg Clusters: Dispersion Corrected DFT Study

Accentuating the Competency of 3d Transition Metal Doped Mg4​ Clusters towards Molecular Hydrogen Adsorption: A DFT Study

Accentuating the Competency of $3 d$ Transition Metal Doped $M g_{4}$ Clusters towards Molecular Hydrogen Adsorption: A DFT Study