Tuning the selective sensing properties of transition metal dichalcogenides (MoX2: X= Se, Te) toward sulfurrich gases P Panigrahi, Y Pal, D Raval, SK Gupta, PN Gajjar, H Bae, H Lee, S Mark, ... Materials Today Chemistry 26, 101069, 2022 | 31 | 2022 |
Ultrahigh carrier mobility and light-harvesting performance of 2D penta-PdX2 monolayer D Raval, B Babariya, SK Gupta, PN Gajjar, R Ahuja Journal of Materials Science 56 (5), 3846-3860, 2021 | 30 | 2021 |
Selective and sensitive toxic gas-sensing mechanism in a 2D Janus MoSSe monolayer B Babariya, D Raval, SK Gupta, PN Gajjar Physical Chemistry Chemical Physics 24 (25), 15292-15304, 2022 | 29 | 2022 |
Detection of H2S, HF and H2 pollutant gases on the surface of penta-PdAs2 monolayer using DFT approach D Raval, SK Gupta, PN Gajjar Scientific Reports 13 (1), 699, 2023 | 28 | 2023 |
Strain modulating electronic band gaps and SQ efficiencies of semiconductor 2D PdQ2 (Q = S, Se) monolayer D Raval, SK Gupta, PN Gajjar, R Ahuja Scientific reports 12 (1), 2964, 2022 | 24 | 2022 |
First-Principles Study of Mn-Doped and Nb-Doped CsPbCl3 Monolayers as an Absorber Layer in Solar Cells MJ Patel, D Raval, SK Gupta, PN Gajjar The Journal of Physical Chemistry Letters 12 (30), 7319-7327, 2021 | 20 | 2021 |
BaTiO3 perovskite for optoelectronics application: A DFT study VB Parmar, D Raval, SK Gupta, PN Gajjar, AM Vora Materials Today: Proceedings, 2023 | 18 | 2023 |
Janus PdSTe nanosheet as promising contender for detection of volatile organic compounds (VOCs) in human breath: A first principles investigation D Raval, SK Gupta, PN Gajjar Chemical Engineering Journal 466, 143101, 2023 | 11 | 2023 |
An ab-initio study of blue phosphorene monolayer: Electronic, vibrational and optical properties GA Shaikh, D Raval, B Babariya, SK Gupta, PN Gajjar Materials Today: Proceedings 47, 576-579, 2021 | 11 | 2021 |
Modulation of band gap and optical response of layered MoX2 (X= S, Se, Te) for electronic and optoelectronic applications B Babariya, D Raval, SK Gupta, PN Gajjar Materials Today Communications 28, 102614, 2021 | 7 | 2021 |
Spin polarization effect on the ground state and electronic properties of ErCu using DFT and DFT+ U approaches D Raval, B Babariya, SK Gupta, PN Gajjar Physica B: Condensed Matter 570, 122-127, 2019 | 7 | 2019 |
Structural, Vibrational, Electronic and Thermodynamical properties of B2–HgMg amalgam: A DFT study MV Vaghela, D Raval, B Babariya, PN Gajjar Physica B: Condensed Matter 601, 412605, 2021 | 5 | 2021 |
First principles study on the structural, electronic, and thermophysical properties of BiFeO3 RN Kharatmol, B Thacker, D Raval, A Mevada, NY Pandya, PN Gajjar Computational Materials Science 229, 112420, 2023 | 4 | 2023 |
Thermoelectric properties and the effect of biaxial strain and external electric fields on the electronics of novel 2D Lace-like O-Pd2Q3 (Q= S, Se) monolayers D Raval, EA Moujaes, SK Gupta, PN Gajjar Surfaces and Interfaces 34, 102396, 2022 | 3 | 2022 |
Elastic and thermal properties of terbium dihydride: An ab-initio study D Raval, K Patel, B Babariya, KA Nekrasov, SK Gupta, PN Gajjar AIP Conference Proceedings 2313 (1), 2020 | 3 | 2020 |
Modulation of spin effect in electronic and vibrational properties of terbium dihydride (TbH2): An ab-initio study K Patel, D Raval, B Babariya, SK Gupta, PN Gajjar International Journal of Hydrogen Energy 45 (15), 8783-8793, 2020 | 2 | 2020 |
Ground State Stability and Thermal Properties of ErCu Using First Principles Study D Raval, B Babariya, SK Gupta, PN Gajjar Sumy State University, 2020 | 2 | 2020 |
Novel Penta-GeC5 Nanosheet as Potential candidate for Efficient Thermoelectric Application: A DFT approach D Raval, EA Moujaes, SK Gupta, PN Gajjar Journal of Physics and Chemistry of Solids, 112157, 2024 | 1 | 2024 |
Electronic, thermal and optical properties of Fm-3m HgF2 material: A DFT approach MV Vaghela, D Raval, B Babariya, PN Gajjar Modern Physics Letters B 37 (24), 2350074, 2023 | 1 | 2023 |
Modulating via external electric field an electronic band gaps in 2D 1T-PdS2 monolayer D Raval, SK Gupta, PN Gajjar Journal of Physics: Conference Series 2518 (1), 012008, 2023 | 1 | 2023 |