59 citations · 179 across the 12 of their papers we have counts for
13 papers
Navigating the Evolution of Two-dimensional Carbon Nitride Research: Integrating Machine Learning into Conventional Approaches
Deep Mondal, Sujoy Datta, Debnarayan Jana
Carbon nitride research has reached a promising point in today's research endeavours with diverse applications including photocatalysis, energy storage, and sensing due to their un…
Doping Induced Magnetic and Electronic phase Transition in Ferrimagnetic Half-metallic MnAl Compound
Sujoy Datta, Prashant Singh
The future of spintronic and semiconductor applications demands materials with tailored electronic and magnetic properties. This study uses density functional theory to investigate…
Porous CrO: a ferromagnetic half-metallic member in sparse hollandite oxide family
Sujoy Datta
A stable polymorph of CrO is predicted using PBE+U method. The porous material is isostructural with MnO making it the second transition metal oxide in sparse hollandit…
One-Step Hydrothermal Synthesis of Sb 2 WO 6 Nanoparticle towards Excellent LED Light Driven Photocatalytic Dye Degradation
Devdas Karmakar, Sujoy Kumar Mandal, Sumana Paul +4
Pristine Antimony tungstate nanoparticles prepared via a simple hydrothermal process showcase interesting photocatalytic efficiency, degrading Methylene Blue (MB) completely in 180…
Combined theoretical and experimental study of the electronic and optical property of SbWO
Devdas Karmakar, Sujoy Datta, Debnarayan Jana
Both theoretical and experimental analysis are carried out to understand the physical properties of the fascinating electronic and optical properties of antimony tungstate (SbW…
Nitrogenated CQD decorated ZnO nanorods towards rapid photodegradation of rhodamine B: a combined experimental and theoretical approach
Sujoy Kumar Mandal, Sumana Paul, Sujoy Datta +1
In this work, hybridization of nonmetal nitrogen-doped carbon dots (NCQDs) with ZnO nanorods (NRs) is utilized towards better photocatalytic degradation of rhodamine B under ultrav…
Semiconductor Physics: A Density Functional Journey
Sujoy Datta, Debnarayan Jana
The journey of theoretical study on semiconductors is reviewed in a non-conventional way. We have started with the basic introduction of Hartree-Fock method and introduce the funda…
Electronic structural critique of interesting thermal and optical properties of CGe germagraphene
Sujoy Datta, Debnarayan Jana
In this communication, we report a theoretical attempt to understand the involvement of electronic structure in determination of optical and thermal properties of CGe germag…
Exploring the role of electronic structure on photo-catalytic behavior of carbon-nitride polymorphs
Sujoy Datta, Prashant Singh, Debnarayan Jana +4
A fully self-consistent density-functional theory (DFT) with improved functionals is used to provide a comprehensive account of structural, electronic, and optical properties of C$…
Electronic and optical properties of Germagraphene, a direct band-gap semiconductor
Sujoy Datta, Debnarayan Jana, Chhanda Basu Chaudhuri +1
In this communication, we report a theoretical attempt to understand the electronic and optical properties of germagraphene, a two-dimensional graphene analogue. We study two diffe…
Simple correction to bandgap in IV and III-V semiconductors: an improved first-principles local density functional theory
Sujoy Datta, Prashant Singh, Chhanda B. Chaudhuri +4
We report results from a fast, efficient, and first-principles full-potential N-order muffin-tin orbital (FP-NMTO) method combined with van Leeuwen-Baerends correction to lo…
Band-gap tuning and optical response of two-dimensional SiC: A first-principles real space study of disordered 2D materials
Banasree Sadhukhan, Prashant Singh, Arabinda Nayak +3
We present a real-space formulation for calculating the electronic structure and optical conductivity of such random alloys based on the Kubo-Greenwood formalism interfaced with th…
Increased metallicity of Carbon nanotubes because of incorporation of extended Stone-Wales' defects: an ab-initio real space approach
Sujoy Datta, Banasree Sadhukhan, Chhanda Basu Chaudhuri +2
We propose an ab-initio combination of the Linear Muffin-Tin Orbital and the Recursion Methods to study the effect of extended Stone-Wales defects in single layer Carbon nanotubes.…