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Research Publications
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| Title of Article |
Type of Publication |
Name of Journal |
ISSN |
Journal Volume |
Year |
Link to Article |
DOI (Digital Object Identifier) |
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A theoretical review on electronic, magnetic and optical properties of silicene
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Review Articles
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Rep. Prog. Phys.
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2016 |
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Impressive Thermoelectric Figure of Merit in Two-Dimensional Tetragonal Pnictogens: a Combined First-Principles and Machine- Learning Approach
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Research Papers in Peer Reviewed Journals
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ACS Applied Materials and Interfaces
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2021 |
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Electric field-induced electronic-thermoelectric-optical properties of typical isoelectronic HNC6 monolayers: A theoretical study
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Research Papers in Peer Reviewed Journals
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Applied Surface Science
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2022 |
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8-16-4 graphyne: Square-lattice two-dimensional nodal line semimetal with a nontrivial topological Zak index
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Research Papers in Peer Reviewed Journals
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Physical Review B
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2021 |
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High exothermic dissociation in van der Waals like hexagonal two dimensional nitrogene from first–principles molecular dynamics
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Research Papers in Peer Reviewed Journals
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Applied Surface Science
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2020 |
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Ultralow Thermal Conductivity and High Thermoelectric Figure of Merit in Two Dimensional Thallium Selenide
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Research Papers in Peer Reviewed Journals
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ACS Appl. Energy Mater.
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2020 |
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Strain induced electronic and magnetic properties of 2D magnet CrI 3 : a DFT approach
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Research Papers in Peer Reviewed Journals
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J. Phys.: Condens. Matter
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2019 |
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Electronic and optical properties of the supercell of 8‐Pmmn borophene modified on doping by H, Li, Be, and C: a DFT approach
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Research Papers in Peer Reviewed Journals
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Applied Physics A
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2019 |
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Optical properties of monolayer BeC under an external electric field: A DFT approach
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Research Papers in Peer Reviewed Journals
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Physical Sciences Reviews
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2018 |
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Search for magnetism in transition metal atoms doped tetragonal graphene : a DFT approach
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Research Papers in Peer Reviewed Journals
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Journal of Magnetism and Magnetic Materials
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2017 |
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Optical and magnetic properties of free-standing silicene, germanene and T-graphene system
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Research Papers in Peer Reviewed Journals
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Physical Sciences Reviews
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2017 |
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Configuration and self- averaging in disordered systems
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Research Papers in Peer Reviewed Journals
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Indian Journal of Physics
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2016 |
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Intriguing features of Dirac cones in phagraphene with site specific doping
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Research Papers in Peer Reviewed Journals
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Applied Surface Science
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2022 |
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Electronic and magnetic properties of modified silicene/graphene hybrid: Ab initio study
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Research Papers in Peer Reviewed Journals
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Mat. Chem. Phys.
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2016 |
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Shape dependent magnetic and optical properties in silicene nanodisks: a first principles study
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Research Papers in Peer Reviewed Journals
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Journal of Physics and Chemistry of Solids
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2015 |
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Conductance of disordered graphene sheets : a real space approach
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Research Papers in Peer Reviewed Journals
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Physica E
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2015 |
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A first principles approach to magnetic and optical properties in single-layer graphene sandwiched between boron nitride monolayers
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Research Papers in Peer Reviewed Journals
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Mater. Res. Express
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2015 |
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First principles Raman study of boron and nitrogen doped planar T-graphene clusters
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Research Papers in Peer Reviewed Journals
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Mater. Re. Express
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2015 |
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Modifications of Optical properties of Graphene by Boron (B) and Nitrogen (N) substitution
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Research Papers in Peer Reviewed Journals
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Chemical Functionalization of Carbon Nanomaterials
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2016 |
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Electronic and optical properties of boron-and nitrogen-functionalized graphene nanosheet
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Research Papers in Peer Reviewed Journals
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Chem. Functionaliz. Carbon Nanomater. Chem. Appl.
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2015 |
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Defect induced magnetism in planar silicene: a first principles study
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Research Papers in Peer Reviewed Journals
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RSC Advances
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2014 |
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Ab-initio calculation of electronic and optical properties of nitrogen and boron doped graphene nanosheet
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Research Papers in Peer Reviewed Journals
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Carbon
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2014 |
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A real-space study of random extended defects in solids: Application to disordered Stone–Wales defects in graphene
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Research Papers in Peer Reviewed Journals
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Physica E: Low-dimensional Systems and Nanostructures
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2014 |
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Optical Properties of P and Al doped Silicene : A First Principles Study
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Research Papers in Peer Reviewed Journals
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RSC Advances
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2015 |
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Ultra-low thermal conductivity of Moiré diamanes
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Research Papers in Peer Reviewed Journals
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Membranes
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2022 |
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Two-step growth of alumina nanoparticle decorated graphene oxide surfaces: Effect on photocatalytic activity
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Research Papers in Peer Reviewed Journals
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Journal of Applied Physics
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2024 |
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An Examination of the Vibrational, Mechanical, Thermoelectric Features and Stability of Novel Half‐Heusler XVIn (X= Pd, Pt) by Density Functional Theory Computation
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Research Papers in Peer Reviewed Journals
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physica status solidi (b)
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2024 |
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Detailed investigations on stability and optoelectronic characteristics of the 1T-PdS2 monolayer
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Research Papers in UGC listed Journals
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Physica Scripta
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2024 |
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Sputtered thin film deposited laser induced graphene based novel micro-supercapacitor device for energy storage application
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Research Papers in Peer Reviewed Journals
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Scientific Reports
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2024 |
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Harnessing BN co-doping for superior thermal transport in phagraphene monolayer
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Research Papers in Peer Reviewed Journals
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Journal of Physics D: Applied Physics
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2024 |
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A first-principles study of ternary metal chalcogenides Ba2MnX3 (X= Te, Se, S) for efficient thermoelectric applications empowered by machine-learning interatomic potential
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Research Papers in Peer Reviewed Journals
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Computational Materials Science
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2022 |
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A review on transport characteristics and Bio-sensingapplication of Silicene
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Review Articles
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Reports on Progress in Physics
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2023 |
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Thermodynamic and thermoelectric properties of FeCrTiZ (Z= Si, Ge) quaternary Heusler compounds
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Research Papers in Peer Reviewed Journals
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The Journal of Chemical Thermodynamics
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2023 |
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Two novel phases of germa-graphene: Prediction, electronic and transport applications
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Research Papers in Peer Reviewed Journals
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Applied Surface Science
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2022 |
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Theoretical studies on electronic, magnetic and optical properties of two dimensional transition metal trihalides
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Review Articles
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Journal of Physics: Condensed Matter
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2023 |
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Stone–Wales Decorated Phagraphene: A Potential Candidate for Supercapacitor Electrodes and Thermal Transport
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Research Papers in Peer Reviewed Journals
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ACS Applied Electronic Materials
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2023 |
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Purely ionically bonded cation paving the way to ultralow thermal conductivity and large thermoelectric figure of merit in Ruddlesden–Popper perovskite Cs2SnI2Br2
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Research Papers in Peer Reviewed Journals
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Journal of Physics: Condensed Matter
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2024 |
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A comparative investigation of different exchange‐correlation functionals oriented prediction of structural, electronic, optical, and transport properties of the novel quaternary LiTiCoSn
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Research Papers in Peer Reviewed Journals
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International Journal of Energy Research
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2022 |
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First-principles and machine-learning study of electronic and phonon transport in carbon-based AA-stacked bilayer biphenylene nanosheets
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Research Papers in Peer Reviewed Journals
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Journal of Physics and Chemistry of Solids
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2022 |
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Importance of the Hubbard U parameter to explore accurate electronic and optical behaviour of BiFeO3
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Research Papers in Peer Reviewed Journals
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Journal of Physics D: Applied Physics
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2022 |
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A study of anisotropic thermoelectric properties of bulk Germanium Sulfide in its Pnma phase: a combined first-principles and machine-learning approach
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Research Papers in Peer Reviewed Journals
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Physica Scripta
|
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2022 |
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First-principles calculations to investigate structural, dynamical, thermodynamic and thermoelectric properties of CdYF3 perovskite
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Research Papers in Peer Reviewed Journals
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Computational and Theoretical Chemistry
|
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2022 |
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Quantum confinement effect on defect level of hydrogen doped rutile VO2 nanowires
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Research Papers in Peer Reviewed Journals
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Journal of Applied physics
|
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2022 |
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Emergence of magnetic anisotropy by surface adsorption of transition metal dimers on γ-graphyne framework
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Research Papers in Peer Reviewed Journals
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Journal of Physics: Condensed Matter
|
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2021 |
|
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Drastic Reduction of Thermal Conductivity in Hexagonal AX (A= Ga, In & Tl, X = S, Se & Te) Monolayers due to Alternative Atomic Configuration
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Research Papers in Peer Reviewed Journals
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Nano Energy
|
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2021 |
|
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Electronic and thermal transport in novel carbon-based bilayer with tetragonal rings: a combined study from first-principles and machine learning approach
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Research Papers in Peer Reviewed Journals
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Physical Chemistry Chemical Physics
|
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2021 |
|
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Comment on ‘MoSi 2 N 4 single-layer: a novel two-dimensional material with outstanding mechanical, thermal, electronic and optical properties’
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Research Papers in Peer Reviewed Journals
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Journal of Physics D : Applied Physics
|
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2021 |
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Novel two-dimensional boron oxynitride predicted using USPEX evolutionary algorithm
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Research Papers in Peer Reviewed Journals
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Physical Chemistry Chemical Physics
|
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2021 |
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