Aaron Forde

Influence of Color-Center Electronegativity on Circular Dichroism in Single-Walled Carbon Nanotubes

Braden M. Weight, Grace Tiffany, Brendan J. Gifford, SVETLANA V. KILINA et autres

Abstract Covalently functionalized single-walled carbon nanotubes (SWCNTs) have emerged as attractive quantum photonic materials due to their highly tunable optical properties and efficient single-photon emission capabilities. Recent progress in engineering chiral defects has motivated exploration of these systems for tunable circularly polarized …

us (code pays fourni par la source)

A Visual Understanding of Circular Dichroism Spectroscopy

Braden M. Weight, Victor M. Freixas, Aaron Forde, Sergei Tretiak

Mapping chemical and structural properties to electronic and magnetic responses is critical to many applications such as quantum information science, where the precise storage and transmission of unique information is paramount. Specifically, constructing molecules and materials that provide strong polarized responses at …

us, pl (code pays fourni par la source)

Chirality transfer from chiral perovskite to molecular dopants via charge transfer states

Guan-Lin Chen, Hsinhan Tsai, Reshna Shrestha, Aaron Forde et autres

Chiral perovskites are semiconductors with broken mirror symmetries. Their photo responses are often constrained in the UV range. In this work, we demonstrate that doping 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane in the chiral perovskite matrix introduces a visible light absorption feature through the emerging charge-transfer electronic …

tw, us (code pays fourni par la source)

Collective Effect of Color-Centers on Chiroptical Response of Carbon Nanotubes

Grace Tiffany, Braden M. Weight, Brendan J. Gifford, Amara Arshad et autres

The incorporation of color centers or chemical dopants into carbon nanotubes (CNTs) offers a promising strategy to modulate their optical activity, particularly to improve their emission. Here, our computational study aims to investigate the effects of covalent defect ensembles on the chiroptical …

us (code pays fourni par la source)

A Visual Understanding of Circular Dichroism Spectroscopy

Braden M. Weight, Victor M. Freixas, Aaron Forde, Sergei Tretiak

Mapping chemical and structural properties to electronic and magnetic responses is critical to many applications such as quantum information science, where the precise storage and transmission of unique information is paramount. Specifically, constructing molecules and materials which provide strong polarized responses at …

us (code pays fourni par la source)

Inducing Circular Dichroism in Carbon Nanotubes by Chemical Defects

Grace Tiffany, Amara Arshad, Braden M. Weight, August Amb et autres

Chiral nanostructures are highly valued for their potential in key technologies, such as nanoelectronics, biosensing, and quantum computing. Chirality can arise from intrinsic structural asymmetry or the attachment of chiral molecules to achiral nanostructures. Our ab initio calculations uncover a mechanism where …

us (code pays fourni par la source)

Nonradiative Recombination of Excitons in Periodic Solids: A Case Study of Dion-Jacobson Lead-Halide Perovskite

Aaron Forde, Carlos Mora Perez, Nikhil Kumar Singh, Dibyajyoti Ghosh et autres

Nonadiabatic dynamics describe the nonradiative relaxation of excited states in semiconducting materials which determine the efficiency of optoelectronic devices. Due to the computational complexity of modeling the coupled electronic-nuclear dynamics approximations are required. In the solid state a common approximation is the …

us, in (code pays fourni par la source)

Chirality transfer from chiral perovskite to molecular dopants via charge transfer states

Guan-Lin Chen, Hsinhan Tsai, Aaron Forde, Kai-Wei Tseng et autres

Chiral perovskites are emerging semiconducting materials with broken symmetry that can selectively absorb and emit circularly polarized light. However, most of the chiral perovskites are typically low-dimensional structures with limited electrical conductivity and their light absorption occurs in the UV region. In …

Revisiting Sub-Band Gap Emission Mechanism in 2D Halide Perovskites: The Role of Defect States

Igal Levine, Dorothee Menzel, Artem Musiienko, Rowan W. MacQueen et autres

High Resolution Image Download MS PowerPoint Slide Understanding the sub-band gap luminescence in Ruddlesden–Popper 2D metal halide hybrid perovskites (2D HaPs) is essential for efficient charge injection and collection in optoelectronic devices. Still, its origins are still under debate with respect to …

il, de, us (code pays fourni par la source)

Influence of Material Properties on Surface Chemistry Induced Circular Dichroism in Halide Perovskite: Computational Insights

Aaron Forde, Amanda C. Evans, Wanyi Nie, Sergei Tretiak et autres

The chirality transfer phenomenon is attractive for enhancing the optical functionality of nanomaterials by inducing sensitivity to the circular polarization states of photons. An underexplored aspect is how material properties of the achiral semiconductor impact the induced chiroptical signatures. Here we apply …

us (code pays fourni par la source)

Impurity induced confinement effects in size-separated Mn-doped CsPbCl 3 nanocrystals

Aaron Forde, Salim A. Thomas, Reed J. Petersen, Dmitri S. Kilin et autres

Beyond quantum confinement, impurity doping of semiconductor nanocrystals (NCs) offers a degree of control over their optical and electronic properties, which are of interest for potential applications. Manganese (Mn)-doped ${\mathrm{CsPbCl}}_{3}$ NCs, for example, show synergistic effects in the visible, with large enhancements …

us (code pays fourni par la source)

Stabilization of Charge-Transfer Excited States in Biological Systems: A Computational Focus on the Special Pair in Photosystem II Reaction Centers

Aaron Forde, Sayan Maity, Victor M. Freixas, Sebastian Fernández-Alberti et autres

Charge-transfer (CT) excited states play an important role in many biological processes. However, many computational approaches often inadequately address the equilibration effects of nuclear and environmental degrees of freedom on these states. One prominent example of systems in which CT states are …

us, de, ar (code pays fourni par la source)