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cond-mat.mtrl-sci2026
Many-body benchmarking of DFT local-registry energetics in bilayer InSe
Jeonghwan Ahn, Abdulgani Annaberdiyev, Jovan Nelson +2
Density functional theory (DFT) is widely used to model twisted bilayers, but the accuracy of the local stacking energetics underlying such models remains uncertain. Here, we bench…
cond-mat.mtrl-sci2025
Modifying the Optical Emission of Vanadyl Phthalocyanine via Molecular Self-Assembly on van der Waals Materials
S. Carin Gavin, William Koll, Moumita Kar +12
Vanadyl phthalocyanine (VOPc) is a promising organic molecule for applications in quantum information because of its thermal stability, efficient processing, and potential as a spi…
cond-mat.mtrl-sci2025
High Temperature Quantum Emission from Covalently Functionalized van der Waals Heterostructures
S. Carin Gavin, Hsun-Jen Chuang, Anushka Dasgupta +10
Two-dimensional (2D) transition metal dichalcogenides (TMDs) are attractive nanomaterials for quantum information applications due to single photon emission (SPE) from atomic defec…