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Main profile
- Hybrid atomic orbital basis from first principles: Bottom-up mapping of self-energy correction to large covalent systems.
Manoar Hossain, Joydev De, and Joydeep Bhattacharjee. J Phys Chem- A, 2021, https://doi.org/10.1021/acs.jpca.1c00320 - Transferability of self-energy correction in localized orbital basis constructed from first-principles, Manoar Hossain, Joydeep Bhattacharjee, J Chem. Phys. 2020, 153, 144103.
- A Synergistic View of Magnetism, Chemical Activation, ORR and OER Catalysis of Carbon Doped Hexagonal Boron Nitride from First-Principles, Rita Maji, Joydeep Bhattacharjee, J Phys. Chem C, 2019, 123, 27, 16731-16740
- Hybrid superlattices of graphene and hexagonal boron nitride: A ferromagnetic semiconductor at room temperature, Rita Maji and Joydeep Bhattacharjee, Phys. Rev. B 99, 125409, (2019)
- Bias induced ferromagnetism and half-metallicity in graphene nano-ribbons, Rita Maji & Joydeep Bhattacharjee, Scientific Reports, 7, 17094 (2017), doi:10.1038/s41598-017-17091-w
- Activation of Graphenic Carbon Due to Substitutional Doping by Nitrogen: Mechanistic Understanding from First Principles,Joydeep Bhattacharjee, J. Phys. Chem. Lett., 2015, 6, pp 1653-1660.DOI: 10.1021/acs.jpclett.5b00304
- Half-metallicity in zigzag-edged graphene nanoribbons with topological defects at an edge, Joydeep Bhattacharjee, J Chem. Phys. Volume 137, Issue 9 (2012).
- Interfacing Carbon Nanotubes of Arbitrary Chiralities into Linear Heterojunctions, Joydeep Bhattacharjee and Jeffrey B. Neaton, Phys. Rev. B. 83, 165432 (2011).
- Molecular-Scale Quantum Dots from Carbon Nanotube Heterojunctions, Bhupesh Chandra, Joydeep Bhattacharjee, Meninder Purewal, Yang Wu, Mingyuan Huang, Tony Heinz, Philip Kim, Jeff Neaton, James Hone, Nano Letters 9 (4), 1544 (2009).
- The Synthesis, Characterization, and Theory of [9]-, [12]-, and [18]Cycloparaphenylene: Carbon Nanohoop Structures, Ramesh Jasti, Joydeep Bhattacharjee, J. B. Neaton, and Carolyn R. Bertozzi, J. Am. Chem. Soc., 2008, 130 (52), 17646 (2008).
- Localized orbital description of electronic structures of extended periodic metals, insulators, and confined systems: Density functional theory calculations, Joydeep Bhattacharjee and Umesh V. Waghmare , Phys. Rev. B 73, 121102(R) (2006).
- Geometric phases and Wannier functions of Bloch electrons in one dimension, Joydeep Bhattacharjee and Umesh V. Waghmare, Phys. Rev. B 71, 045106, (2005)
Joydeep Bhattacharjee
School:
Physical Sciences
Designation:
Reader - F
Education:
B. Sc : RKM VC College, Calcutta University, 1999.
M.Sc : Calcutta University, 2001.
PhD : Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore, 2007.
Specialisation:
Computational Condensed Matter Physics: Electronic structure of materials.
Publications:
Selected publications
Patents
Hydrogen storage materials and hydrogen fuel cells
US 20090098423 A1
Responsibilities:
JEST Coordinator
HPC facility
Research:
Computational Materials Scieince from first principles and model Hamiltonian
- magnetism, catalysis, transport, topological protection of states in the lightest lowdimensional systems - graphene, hexgonal boron nitride, germanene , etc. and their hybrids
- methods and applications for inexpensive computation and analysis of ground and excited states
INTRODUCTION:
With the aim of proposing new materials and methodologies towards solving some of the contemporary problems faced by humanity, such as, securing clean green energy resources and environment, our group focuses on computationally understanding electronic, optical and magnetic properties, and their interplay in primarily low-dimensional systems from first principles as well as model Hamiltonian. We compute and analyse electronic structure of the ground and excited states in layered structures made of the lightest of the elements known to self-assemble into extended structures in normal temperature and preassure, namely, boron, carbon, nitrogen, oxygen and the elements below them in the peridic table, within the frameworks of density functional theory with refinements to include self-energy corrections and correlations through mean-field approximation of Hubbard model.
Teaching:
Statistical Mechanics
Physics of Atoms and Molecules
Classical Mechanics -II
Introduction to Condensed Matter Physics
Advanced Solid State Physics
Physics laboratory
Contacts:
Phone No.:
+91 674-2494282
Room No.:
406 FC
Personal Page:
Group Members:
Rita Maji
Research : magnetism and catalysis of gated graphene and graphene-hexagonal boron nitride hybrids
Defended her thesis in July 2019.
Will be joining her post-doctoral position soon in UNIMORE , Università degli Studi di Modena e Reggio Emilia , Italy
Mnaoar Hussain
Research : methodological development for cheaper computation of self energy correction and excitations,
photovoltaics and super-capactitors with graphene-hexagonal boron nitride hybrids
Joydev De
Research : methodological development towards inexpensive computation of plasmonic excitation in low dimensional systems
Sujith N S
Research : Manipulation of topological protection in low dimensional systems
Alumni:
Riju Banerjee (University of Pennsylvania)
Sayeed Rafeeq (University of Nebraska)
Moneesha R (University of Florida)
Aditya Putatunda (University of Missouri)
