Bulumoni Kalita

collaborators

2 papers

cond-mat.mtrl-sci2022

Effect of Oxygen Vacancy Defects on Electronic and Optical Properties of $M g O$ Monolayers: First Principles Study

Rituparna Hazarika, Bulumoni Kalita

The optoelectronic properties induced by oxygen vacancy defects in MgO(111) monolayers have been studied using hybrid level of DFT method. HSE calculations shows significant reduct…

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…

Effect of Oxygen Vacancy Defects on Electronic and Optical Properties of MgO Monolayers: First Principles Study

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

Effect of Oxygen Vacancy Defects on Electronic and Optical Properties of $M g O$ Monolayers: First Principles Study