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Shivani Grover
Shivani Grover
Research Associate at University of Edinburgh
Verifierad e-postadress på ed.ac.uk
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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
742019
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
162021
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
142020
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
112022
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
62022
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
52021
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
42021
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
22023
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
22023
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
22020
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
12020
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
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Artiklar 1–19