Investigating Molecular Exciton Polaritons Using Ab Initio Cavity Quantum Electrodynamics

BM Weight, TD Krauss, P Huo - The Journal of Physical Chemistry …, 2023 - ACS Publications
Coupling molecules to the quantized radiation field inside an optical cavity creates a set of
new photon–matter hybrid states called polariton states. We combine electronic structure …

Diffusion quantum Monte Carlo approach to the polaritonic ground state

BM Weight, S Tretiak, Y Zhang - Physical Review A, 2024 - APS
Making and using polaritonic states (ie, hybrid electron-photon states) for chemical
applications has recently become one of the most prominent and active fields that connects …

Unified Quantification of Quantum Defects in Small-Diameter Single-Walled Carbon Nanotubes by Raman Spectroscopy

FL Sebastian, F Becker, Y Yomogida, Y Hosokawa… - ACS …, 2023 - ACS Publications
The covalent functionalization of single-walled carbon nanotubes (SWCNTs) with
luminescent quantum defects enables their application as near-infrared single-photon …

Synthesis of carbon nanotubes-chitosan nanocomposite and immunosensor fabrication for myoglobin detection: An acute myocardial infarction biomarker

G Rabbani, E Ahmad, ME Khan, AU Khan… - International Journal of …, 2024 - Elsevier
The use of single-walled carbon nanotubes (SWCNTs) in biomedical applications is limited
due to their inability to disperse in aqueous solutions. In this study, dispersed–COOH …

Remarkable lubricity of CNTs microspheres as additives in oil lubricant for ceramic components

T Li, Y He, C Zhang, H Xue, Y Zhong, L Gu, L Wu - Ceramics International, 2024 - Elsevier
Severe wear was often caused by adhesive wear and tribo-chemical reaction for ceramic
components. In view of this situation, potentials of carbon nanotubes (CNTs) used as oil …

Ultra-thin robust CNT@ GC film integrating effective electromagnetic shielding and flexible Joule heating

D Zhang, C Wang, M Li, W Meng, S Zhang, M Yang… - Nano Research, 2024 - Springer
The demand for lightweight, thin electromagnetic interference (EMI) shielding film materials
with high shielding effectiveness (SE), excellent mechanical properties, and stability in …

Theoretical studies for improving the dispersion of carbon nanotubes in caprolactam polymers by enhancing the intermolecular interactions with functionalization …

Z Fang, X Feng, X Li, X Tang, Y Xu… - ACS Applied Nano …, 2024 - ACS Publications
The inhomogeneous dispersion caused by carbon nanotube (CNT) agglomeration in
composites still needs to be explored, though mechanical properties of the polymer …

Structure-Resolved Monitoring of Single-Wall Carbon Nanotube Functionalization from Raman Intermediate Frequency Modes

N Soltani, Y Zheng, SM Bachilo… - The Journal of Physical …, 2023 - ACS Publications
Single-wall carbon nanotubes (SWCNTs) can be covalently modified to generate useful
changes in their spectroscopic and photophysical properties. We report here a new method …

On-the-Fly Nonadiabatic Dynamics Simulations of Single-Walled Carbon Nanotubes with Covalent Defects

BM Weight, AE Sifain, BJ Gifford, H Htoon, S Tretiak - ACS nano, 2023 - ACS Publications
Single-walled carbon nanotubes (SWCNTs) with covalent surface defects have been
explored recently due to their promise for use in single-photon telecommunication emission …

Ab initio approaches to simulate molecular polaritons: Properties and quantum dynamics

B Weight, P Huo - 2024 - chemrxiv.org
Molecular polaritons are hybrid states formed by the quantum mechanical interaction
between light and matter. Recent experiments have shown the ability to drastically modify …