4 citations · 7 across the 7 of their papers we have counts for
7 papers
A Surface-Scaffolded Molecular Qubit
Tian-Xing Zheng, M. Iqbal Bakti Utama, Xingyu Gao +24
Fluorescent spin qubits are central building blocks of quantum technologies. Placing these qubits at surfaces maximizes coupling to nearby spins and fields, enabling nanoscale sens…
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…
Density Functional Tight-Binding Enables Tractable Studies of Quantum Plasmonics
Nikhil S. Chellam, Subhajyoti Chaudhuri, Abhisek Ghosal +2
Routine investigations of plasmonic phenomena at the quantum level present a formidable computational challenge due to the large system sizes and ultrafast timescales involved. Thi…
Density Functional Tight-Binding Captures Plasmon-Driven H Dissociation on Al Nanocrystals
Nikhil S. Chellam, George C. Schatz
Aluminum nanocrystals offer a promising platform for plasmonic photocatalysis, yet a detailed understanding of their electron dynamics and consequent photocatalytic performance has…
The Role of Defect Geometry in Localized Emission from Monolayer Tungsten Dichalcogenides
S. Carin Gavin, Moumita Kar, Jianguo Wen +10
Understanding the mechanism of single photon emission (SPE) in two-dimensional (2D) material is an unsolved problem important for quantum optical materials and the development of q…
Laser Pulse Induced Second- and Third-Harmonic Generation of Gold Nanorods with Real-Time Time-Dependent Density Functional Tight Binding (RT-TDDFTB) Method
Sajal Kumar Giri, George C. Schatz
In this study, we investigate second- and third-harmonic generation processes in Au nanorod systems using the real-time time-dependent density functional tight binding method. Our…
Plasmon Enhanced Spectroscopy and Photocatalysis
Sajal Kumar Giri, George C. Schatz
This study examines the Raman scattering and charge transfer properties of molecules adsorbed on the surface of a tetrahedral Au nanoparticle based on the time-dependent de…