Shivani Grover

• Phd
• PhD at University of Reading

ABX 3 molecular perovskites have recently gained attention in the field of ferroelectrics and barocalorics where the materials’ mechanical properties such as mechanical stability, compressibility, hardness, and elasticity are important performance...

ABX3 molecular perovskites have recently gained attention in the field of ferroelectrics and barocalorics where the materials’ mechanical properties such as mechanical stability, compressibility, hardness, and elasticity are important performance criteria. Akin to previous work on ceramic perovskites, research on molecular perovskites benefits from...

Bismuth ferrite, BiFeO3, is a multiferroic solid that is attracting increasing attention as a potential photocatalytic material, because the ferroelectric polarization enhances the separation of photogenerated carriers. With the motivation of finding routes to engineer the band gap and the band alignment, while conserving or enhancing the ferroelec...

Members of a recently discovered class of two-dimensional materials based on transition metal phosphorous trichalcogenides exhibit an antiferromagnetic ground state and they have potential applications in spintronics. In particular, FePS3 is a Mott insulator with a band gap of ∼ 1.5 eV. In this study, we used Raman spectroscopy and first-principles...

BiFeO3 is a multiferroic solid that is of interest as a potential photovoltaic and photocatalytic material. The ferroelectric character might enhance carrier separation, but the efficiency is limited by a wide electronic bandgap. With the motivation of finding routes to engineer the bandgap and the band structure, we have investigated the thermodyn...

Mixed-anion mixed-cation perovskites with (FAPbI 3 ) 1-x (MAPbBr 3 ) x composition have allowed record efficiencies in photovoltaic solar cells, but their atomic-scale behaviour is not well understood yet, in part because their theoretical modelling requires...

Demonstrating both the intrinsic and extrinsic nature of the giant piezoelectric effect (GPE) in complex solid solutions, near the morphotropic phase boundary, has been extremely challenging until now, because such materials exhibit multiple phases on the order of tens of microns across, meaning important information is lost due to averaging when u...

Mixed-anion mixed-cation perovskites with (FAPbI$_3$)$_{1-x}$(MAPbBr$_3$)$_x$ composition have allowed record efficiencies in photovoltaic solar cells, but their atomic-scale behaviour is not well understood yet, in part because their theoretical modelling requires consideration of complex and interrelated dynamic and disordering effects. We presen...

Recently discovered class of 2D materials based on transition metal phosphorous trichalcogenides exhibit antiferromagnetic ground state, with potential applications in spintronics. Amongst them, FePS$ _{3} $ is a Mott insulator with a band gap of $\sim$ 1.5 eV. This study using Raman spectroscopy along with first-principles density functional theor...

Molecular perovskites, i.e. ABX3 coordination polymers with a perovskite structure, are a chemically diverse material platform for studying fundamental and applied materials properties such as barocalorics and improper ferroelectrics. Compared to inorganic perovskites, the use of molecular ions on the A- and X-site of molecular perovskites leads to...

Understanding of electron-phonon coupling (EPC) in two-dimensional (2D) materials manifesting as phonon renormalization is essential to their possible applications in nanoelectronics. Here we report in situ Raman measurements of electrochemically top-gated 2, 3 and 7 layered 2H-MoTe2 channel based field-effect transistors. While the [Formula: see t...

With high energy conversion efficiency and low-cost production, hybrid organic–inorganic perovskite solar cells (PSCs) have the potential to be alternative to silicon-based technology. However, there are concerns about their long-term stability and environmental friendliness, which must necessarily be addressed to enable large-scale commercializati...

Ta2NiSe5 is an excitonic insulator (EI) exhibiting bound electron-hole pairs condensed at room temperature, which transforms to a small-gap semiconducting state above T=325 K simultaneously undergoing a phonon-related structural transition. Despite the clear experimental evidence for strong exciton-phonon coupling, its role and the origin of EI sta...

Understanding of electron-phonon coupling (EPC) in two dimensional (2D) materials manifesting as phonon renormalization is essential to their possible applications in nanoelectronics. Here we report in-situ Raman measurements of electrochemically top-gated 2, 3 and 7 layered 2H-MoTe$ _{2} $ channel based field-effect transistors (FETs). While the E...

Relative ease in synthesis of hybrid organic-inorganic perovskites and their remarkable physical properties have led to a new generation of highly efficient photovoltaic solar cells. Extensive research on these materials has opened up avenues to their other applications like mechatronics and nano-mechanical energy harvesting based on their ferroele...