RESEARCH & PUBLICATIONS

Tuning the Physical Properties of Lead-Free Halide Double Perovskite Cs2MInCl6 (M = Na, K) via Cu Doping for Optoelectronic Applications: ADFT Investigation

Published: December 2023

Improved luminescence and photocatalytic properties of Sm3+-doped ZnO nanoparticles via modified sol–gel route: A unified experimental and DFT+ U approach

Published: April 2023

Structural, elastic and optoelectronic properties of inorganic cubic FrBX 3 (B= Ge, Sn; X= Cl, Br, I) perovskite: the density functional theory approach

Published: March 2022

A DFT+ U approach to doped SrTiO3 for solar harvesting applications

Published: March 2022

Effects of transition metal doping on CsGeBr3 perovskite: First-principles study

Published: July 2022

A DFT+ U study on the structural, electronic, magnetic, and optical properties of Fe and Co co-doped CuO

Published: August 2022

The structural, elastic, electronic, magnetic and optical properties of SrNiO3 perovskite: A DFT and DFT+ U study

Published: October 2022

Magnetic, optoelectronic, and rietveld refined structural properties of Al3+ substituted nanocrystalline Ni-Cu spinel ferrites: An experimental and DFT based study

Published: November 2022

Enhanced photocatalytic activity of Ho3+ doped ZnO NPs synthesized by modified sol-gel method: an experimental and theoretical investigation

Published: March 2021

Structural, elastic, vibrational, electronic and optical properties of SmFeO3 using density functional theory

Published: August 2021

Physical and dynamical characteristics of thunderstorms over Bangladesh based on radar, satellite, upper-air observations, and WRF model simulation

Published: September 2021

Synthesis, characterization and visible light-responsive photocatalysis properties of Ce doped CuO nanoparticles: a combined experimental and DFT+ U study

Published: May 2021

Performance Analysis of Perovskite Solar Cells Using DFT-Extracted Parameters of Metal-Doped TiO2 Electron Transport Layer

Published: June 2021

A DFT+ U look into experimentally synthesized monoclinic scheelite BiVO4

Published: December 2021

Performance Analysis of Perovskite Solar Cells Using DFT-Extracted Parameters of Metal-Doped TiO₂ Electron Transport Layer

Published:  2021

The Density Functional Theory (DFT) And DFT+ U Study of the Effect of the on-Site Coulomb Repulsion Parameter U on the Structural and Magnetic Properties of CeO 2 Nanoparticles

Published: October 2020

Simulation studies to quantify the impacts of point defects: an investigation of Cs2AgBiBr6 perovskite solar devices utilizing ZnO and Cu2O as the charge transport layers

Published: November 2020

Effect of Al doping on the structural and optical properties of CuO nanoparticles prepared by solution combustion method: Experiment and DFT investigation

Published: December 2020

Ab initio study of oxygen evolution reaction and hydrogen evolution reaction via water splitting on pure and nitrogen-doped graphene surface

Published: December 2020

First principles study of magnetization and magnetic anisotropy energy of small Co-Pt clusters

Published: December 2020

Effect of Al doping on the structural and optical properties of CuO nanoparticles prepared by solution combustion method: Experiment and DFT investigation

Published: December 2020

First principles study of magnetization and magnetic anisotropy energy of small Co-Pt clusters

Published: December 2020

Study of Pre-Monsoon Thunderstorms and Associated Thermodynamic Features Over Bangladesh Using WRF-ARW Model

Published: July 2019

Spectral and magnetic properties of hematite Fe2O3 (001) surface: results from DFT+DMFT

Published: March 2015

A DFT+ nonhomogeneous DMFT approach for finite systems

Published: March 2015

Effect of structure on the magnetic anisotropy of L10 FePt nanoparticles

Published: Augast 2015

Density-Functional Theory+Dynamical Mean-Field Theory Study of the Magnetic Properties of Transition-Metal Nanostructures Author

Published: 2015

Magnetocrystalline anisotropy of L10 FePt nanoparticles

Published: March 2014

Magnetic properties of Fe and Fe-Pt nanoparticles: application of nano-DFT +DMFT

Published: March 2013

Magnetic properties of Fe nanoparticles: application of the DFT-Inhomogeneous-DMFT approach

Published: February 2012

Analyzing electron-electron correlations at nanoscale: a DFT+ DMFT code for nanosystems

Published: February 2012

Dynamical mean-field theory for molecules and nanostructures

Published: March 2012

Electron-electron correlations and magnetic properties of small FePt clusters

Published: March 2011

TDDFT studies of plasmonic excitations in small transition metal-doped gold chains

Published: March 2011

Transition metal impurity-induced generation of plasmonic collective modes in small gold clusters

Published: September 2011

Magnetic properties of small iron clusters: Nanoscale Dynamical Mean-Field Theory analysis

Published: March 2010

A DFT+ DMFT approach for nanosystems

Published: November 2010