Microscopic origin of piezoelectricity in lead-free halide perovskite: application in nanogenerator design R Pandey, G SB, S Grover, SK Singh, A Kadam, S Ogale, UV Waghmare, ... ACS Energy Letters 4 (5), 1004-1011, 2019 | 75 | 2019 |
Tilt and shift polymorphism in molecular perovskites S Burger, S Grover, KT Butler, HLB Boström, R Grau-Crespo, G Kieslich Materials Horizons 8 (9), 2444-2450, 2021 | 16 | 2021 |
Destabilizing excitonic insulator phase by pressure tuning of exciton-phonon coupling S Pal, S Grover, L Harnagea, P Telang, A Singh, DVS Muthu, ... Physical Review Research 2 (4), 043182, 2020 | 16 | 2020 |
Raman and first-principles study of the pressure-induced Mott-insulator to metal transition in bulk FePS3 S Das, S Chaturvedi, D Tripathy, S Grover, R Singh, DVS Muthu, ... Journal of Physics and Chemistry of Solids 164, 110607, 2022 | 11 | 2022 |
Mixed-anion mixed-cation perovskite (FAPbI 3) 0.875 (MAPbBr 3) 0.125: an ab initio molecular dynamics study E Menéndez-Proupin, S Grover, AL Montero-Alejo, SD Midgley, KT Butler, ... Journal of Materials Chemistry A 10 (17), 9592-9603, 2022 | 6 | 2022 |
Intrinsic and extrinsic nature of the giant piezoelectric effect in the initial poling of PMN-PT AGA Nisbet, F Fabrizi, SC Vecchini, M Stewart, MG Cain, T Hase, P Finkel, ... Physical Review Materials 5 (12), L120601, 2021 | 5 | 2021 |
Data supporting Mixed-anion mixed-cation perovskite (FAPbI3) 0.875 (MAPbBr3) 0.125: an ab initio molecular dynamics study E Menéndez-Proupin, S Grover, AL Montero-Alejo, SD Midgley, KT Butler, ... Repositorio de datos de investigación de la Universidad de Chile, 2021 | 4 | 2021 |
Co‐Substituted BiFeO3: Electronic, Ferroelectric, and Thermodynamic Properties from First Principles S Grover, KT Butler, UV Waghmare, R Grau‐Crespo Advanced Theory and Simulations 6 (10), 2200673, 2023 | 2 | 2023 |
Tuning the mechanical properties of dicyanamide-based molecular perovskites S Grover, S Burger, KT Butler, K Hemmer, P Vervoorts, G Kieslich, ... CrystEngComm 25 (23), 3439-3444, 2023 | 2 | 2023 |
Symmetry induced phonon renormalization in few layers of 2H-MoTe2 transistors: Raman and first-principles studies S Das, K Debnath, B Chakraborty, A Singh, S Grover, DVS Muthu, ... Nanotechnology 32 (4), 045202, 2020 | 2 | 2020 |
Effect of humidity on the orientational ordering of CH3NH 3 + in methylammonium lead iodide S Grover, UV Waghmare Bulletin of Materials Science 43, 1-7, 2020 | 1 | 2020 |
First-principles modelling of functional perovskites S Grover University of Reading, 2022 | | 2022 |
Mixed-anion mixed-cation perovskite (FAPbI₃) ₀ꓸ₈₇₅ (MAPbBr₃) ₀ꓸ₁₂₅: an ab initio molecular dynamics study E Menéndez-Proupin, S Grover, AL Montero-Alejo, SD Midgley, KT Butler, ... American Chemical Society, 2022 | | 2022 |
Co-Substituted BiFeO S Grover, KT Butler, UV Waghmare, R Grau-Crespo | | 2022 |
Mixed-anion mixed-cation perovskite (FAPbI₃) ₀. ₈₇₅ (MAPbBr₃) ₀. ₁₂₅: an ab initio molecular dynamics study E Menéndez-Proupin, S Grover, AL Montero-Alejo, SD Midgley, KT Butler, ... | | 2022 |
Computer modeling of molecular perovskites [(C3H7) 3 (CH3) N] M (C2N3) 3 (M= transition metal): tilt-and-shift polymorphism and vibrational/mechanical properties S Grover, S Burger, K Butler, HB Boström, G Kieslich, R Grau-Crespo APS March Meeting Abstracts 2022, G00. 260, 2022 | | 2022 |
Co-substituted BiFeO3: thermodynamic, electronic and ferroelectric properties from first principles S Grover, K Butler, U Waghmare, R Grau-Crespo APS March Meeting Abstracts 2022, W71. 011, 2022 | | 2022 |
Destabilizing excitonic insulator phase by pressure tuning of exciton-phonon coupling UV Waghmare, DVS Muthu, S Pal, S Grover, L HARNAGEA, AK Sood, ... American Physical Society, 2020 | | 2020 |
First-principles theoretical analysis of phase transitions in hybrid perovskite and excitonic insulator S Grover Jawaharlal Nehru Centre for Advanced Scientific Research, 2019 | | 2019 |