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Shilpa Singh
Shilpa Singh
Post-Doctoral Fellow, Institute for Plasma Research
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Year
Ab-initio calculation on electronic and optical properties of ThO2, UO2 and PuO2
S Singh, SK Gupta, Y Sonvane, KA Nekrasov, AY Kupryazhkin, PN Gajjar
Journal of Nuclear Materials 511, 128-133, 2018
212018
Quantum capacitance of multi-layered δ-6 borophene: A DFT study
H Kolavada, S Singh, I Lukačević, PN Gajjar, SK Gupta
Electrochimica acta 439, 141589, 2023
132023
Effect of pressure on mechanical and optical properties of ThO2 and PuO2
S Singh, Y Sonvane, KA Nekrasov, AY Kupryazhkin, PN Gajjar, SK Gupta
Journal of the American Ceramic Society 106 (2), 1062-1073, 2023
82023
Systematic investigation of electronic, mechanical and optical properties of UO2 at higher pressure: a DFT+ U+ SOC study
S Singh, Y Sonvane, KA Nekrasov, AS Boyarchenkov, AY Kupryazhkin, ...
Solid State Sciences 132, 106968, 2022
52022
Ab-initio investigation of crystal structure and pressure induced phase transition in ThO2 and PuO2
S Singh, Y Sonvane, KA Nekrasov, AS Boyarchenkov, AY Kupryazhkin, ...
Materials Today Communications 28, 102579, 2021
42021
First principles study of electronic structure and carrier mobility in β-armchair antimony nanotubes
S Singh, SK Gupta, Y Sonvane, PN Gajjar
Physics Letters A 382 (40), 2978-2983, 2018
42018
High pressure cotunnite structure of ThO2: A DFT study
S Singh, SK Gupta, Y Sonvane, KA Nekrasov, AY Kupryazhkin, PN Gajjar
AIP Conference Proceedings 2115 (1), 2019
32019
β-armchair antimony nanotube: Structure, stability and electronic properties
S Singh, SK Gupta, Y Sonvane, PN Gajjar
AIP Conference Proceedings 1961 (1), 2018
32018
A first principles investigation of defect energetics and diffusion in actinide dioxides
S Singh, Y Sonvane, KA Nekrasov, AY Kupryazhkin, PN Gajjar, SK Gupta
Journal of Nuclear Materials 591, 154901, 2024
12024
Strain induced band-gap tailoring in SeO and TeO topological insulators
JB Barot, S Singh, SK Gupta, PN Gajjar
Physica B: Condensed Matter 666, 415083, 2023
12023
First principles investigation of trapping and diffusion of fission gas in AnO2
S Singh, Y Sonvane, KA Nekrasov, AY Kupryazhkin, PN Gajjar, SK Gupta
Materials Today: Proceedings, 2023
2023
Effect of Ni substitution on the structural, magnetic, and thermodynamic properties in Gd2− xNixIn (0≤ x≤ 1) intermetallic compounds: An experimental and theoretical study
S Sharma, S Singh, AK Patel, SK Gupta, PN Gajjar, P Kumar
Intermetallics 151, 107743, 2022
2022
Energetic and structural investigation of thorium nanoclusters using first principles calculations
SK Gupta, S Singh, Y Sonvane, KA Nekrasov, AY Kupryazhkin, PN Gajjar
AIP Conference Proceedings 2142 (1), 2019
2019
Electronic and temperature dependent transport properties of ultrathin As and Sb nanowires
S Singh, PD Bhuyan, SK Gupta, Y Sonvane, PN Gajjar
AIP Conference Proceedings 2115 (1), 2019
2019
Stability and tunable electronic structure of planar phosphorus nanotubes
S Singh, S Kaur, SK Gupta, A Kumar, S Srivastava
AIP Conference Proceedings 2115 (1), 2019
2019
Crystal Structure of AnO2 and Phase Transition at Higher Pressure: A Brief Review
S Singh, SK Gupta, Y Sonvane, KA Nekrasov, AY Kupryazhkin, PN Gajjar
Advances in Spectroscopy: Molecules to Materials: Proceedings of NCASMM 2018 …, 2019
2019
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