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Visualizing Millisecond Atomic Dynamics of Nanocrystals in Liquid
Sungsu Kang, Jinho Rhee, Joodeok Kim +11
Atomic structures of nanomaterials are inherently dynamic, continuously reshaped through interactions with chemical species and external stimuli. Such dynamics are further amplifie…
Influence Functional Approach to Non-Perturbative Exciton Binding Renormalization from Phonons
Rohit Rana, Eric R. Heller, Antonios M. Alvertis +2
We construct a many-body model Hamiltonian to capture how phonons renormalize exciton binding as a function of temperature. By using the GW approximation and density functional per…
Atomic Alignment in PbS Nanocrystal Superlattices with Compact Inorganic Ligands via Reversible Oriented Attachment of Nanocrystals
Ahhyun Jeong, Aditya N. Singh, Josh Portner +12
Nanocrystals (NCs) serve as versatile building blocks for the creation of functional materials, with NC self-assembly offering opportunities to enable novel material properties. He…
Electronic origin of reorganization energy in interfacial electron transfer
Sonal Maroo, Leonardo Coello Escalante, Yizhe Wang +8
Electron transfer (ET) reactions underpin energy conversion and chemical transformations in both biological and abiological systems. The efficiency of any ET process relies on achi…
Theoretical insights into the role of lattice fluctuations on the excited behavior of lead halide perovskites
Yoonjae Park, Rohit Rana, Daniel Chabeda +2
Lead halide perovskites have been extensively studied as a class of materials with unique optoelectronic properties. A fundamental aspect that governs optical and electronic behavi…
On the interplay of electronic and lattice screening on exciton binding in two-dimensional lead halide perovskites
Rohit Rana, David T. Limmer
We use path integral Monte Carlo to study the energetics of excitons in layered, hybrid organic-inorganic perovskites in order to elucidate the relative contributions of dielectric…