121 citations · 477 across the 17 of their papers we have counts for
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Computational Synthesis of 2D Materials: A High-throughput Approach to Materials Design
Tara M. Boland, Arunima K. Singh
2D materials find promising applications in next-generation devices, however, large-scale, low-defect, and reproducible synthesis of 2D materials remains a challenging task. To ass…
Localized Phonon Densities of States at Grain Boundaries in Silicon
Peter Rez, Tara Boland, Christian Elsässer +1
Since it is now possible to record vibrational spectra at nanometer scales in the electron microscope it is of interest to explore whether defects such as dislocations or grain bou…
Exploring Exciton and Polaron Dominated Photo-physical Phenomena in Ruddlesden-Popper Phases of Ban+1ZrnS3n+1 (n=[1-3]) from Many Body Perturbation Theory
Deepika Gill, Arunima Singh, Manjari Jain +1
Ruddlesden-Popper (RP) phases of BaZrS (n=[1-3]) are evolved as new promising class of chalcogenide perovskites in the field of op…
Optoelectronic Properties of Chalcogenide Perovskites by Many-Body Perturbation Theory
Manish Kumar, Arunima Singh, Deepika Gill +1
Chalcogenide perovskites have emerged as non-toxic and stable photovoltaic materials, acting as an alternative to lead halide hybrid perovskites having similar optoelectronic prope…
Excitonic Effects in Absorption Spectra of Carbon Dioxide Reduction Photocatalysts
Tathagata Biswas, Arunima K. Singh
The formation and disassociation of excitons plays a crucial role in any photovoltaic or photocatalytic application. However, excitonic effects are seldom considered in materials d…