Article
Chemistry, Multidisciplinary
M. M. Muhammed, J. H. Mokkath
Summary: MXenes are a class of two-dimensional transition metal carbides, nitrides, and carbonitrides with diverse surface terminations and compositions, which have the potential to advance the development of novel devices. Quantum-mechanical simulations reveal the impact of metal elements and surface terminations on the optical and plasmonic characteristics of M2CTx MXene nanoflakes, showing the formation of localized surface plasmon resonances. The Janus MXene nanoflake Ti2CFO exhibits the strongest and narrowest infrared LSPR due to its large out-of-plane time-dependent dipole moment.
MATERIALS TODAY CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Marco Medves, Giovanna Fronzoni, Mauro Stener
Summary: This article presents a new set of auxiliary basis functions suitable for fitting the induced electron density. The set has been optimized to accurately calculate absorption spectra using the complex polarizability algorithm of time-dependent density functional theory (TDDFT). An automatic procedure has been developed to evaluate the resemblance of the calculated spectra to a reference, allowing for the reduction of the basis set size while maximizing accuracy. This new set of basis functions has already been included in the latest release of the AMS suite of programs, and will greatly improve the applicability range of the polTDDFT method with higher accuracy and less computational effort.
JOURNAL OF COMPUTATIONAL CHEMISTRY
(2022)
Article
Physics, Multidisciplinary
Nan Gao, Guodong Zhu, Yingzhou Huang, Yurui Fang
Summary: The relationship between the plasmonic properties of multiple clusters and the molecular interactions and properties of a single cluster or molecule is becoming increasingly important. A hybrid phenomenon similar to plasmonic nanoparticle hybridization exists between two molecules with plasmon excitation modes. This study uses various theoretical methods to analyze the plasmon excitation modes and hybridization characteristics of two linear polyenes with different functional groups. The results provide new insights into the molecular plasmon hybridization of coupled molecules.
Article
Chemistry, Physical
Jakub Fojt, Tuomas P. Rossi, Tomasz J. Antosiewicz, Mikael Kuisma, Paul Erhart
Summary: This study demonstrates a subsystem approach that accurately predicts the optical spectra of nanoparticle-molecule assemblies with good computational efficiency, and can be extended to larger systems.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Nanoscience & Nanotechnology
Chia-Wen Kuo, Sheng-Hann Wang, Shu-Cheng Lo, Wei-Han Yong, Ya-Lun Ho, Jean-Jacques Delaunay, Wan-Shao Tsai, Pei-Kuen Wei
Summary: The study proposes a method for sensitive detection of small molecules by coupling image dipoles of gold nanoparticles with Fano resonance of capped gold nanoslits. The coupling mechanism was verified through calculations and experiments, showing potential for detecting low concentrations of small molecules. This resonant coupling significantly pushes the sensitivity boundary, with the detection limit reported to be 3 orders of magnitude lower than prism-based SPR.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Multidisciplinary
Piotr Szustakiewicz, Natalia Kowalska, Maciej Baginski, Wiktor Lewandowski
Summary: A simple strategy for the fabrication of films of binary nanoparticle assemblies is introduced, with dynamic control over the configuration of gold nanorods and nanospheres achieved through the melting of liquid-crystal-like nanoparticle ligands. This approach provides a route for preparing hierarchical nanoparticle superstructures with applications in reversibly switchable, visible-range plasmonic technologies.
Article
Chemistry, Multidisciplinary
Lianmin Cui, Ling Zhang, Heping Zeng
Summary: The study systematically investigates fluorescence resonance energy transfers (FRET) between cyan fluorescent protein (CFP) and yellow fluorescent protein (YFP) on nanoporous gold (NPG) by controlling the distance between NPG and fluorescent proteins with polyelectrolyte multilayers. It is found that NPG significantly enhances FRET between CFP and YFP, with the maximum enhancement related to both ligament size of NPG and the distance between NPG and proteins. After optimizing the distance, an 18-fold FRET enhancement was obtained on NPG compared to glass, with a conversion efficiency of about 90%.
Article
Chemistry, Multidisciplinary
Marissa E. Wechsler, H. K. H. Jocelyn Dang, Susana P. Simmonds, Kiana Bahrami, Jordyn M. Wyse, Samuel D. Dahlhauser, James F. Reuther, Abigail N. VandeWalle, Eric Anslyn, Nicholas A. Peppas
Summary: The development of a label-free biosensor using anionic hydrogel-coated gold nanoshells for detection of high isoelectric point tear biomarkers associated with dry eye has shown promising results. By forming dynamic covalent imine bonds with select tear proteins, the hydrogel-coated AuNSs greatly enhance protein recognition, demonstrating potential for clinical translation in dry eye diagnosis.
Article
Chemistry, Multidisciplinary
Ruoqi Ai, Christina Boukouvala, George Lewis, Hao Wang, Han Zhang, Yunhe Lai, He Huang, Emilie Ringe, Lei Shao, Jianfang Wang
Summary: A simple method for reshaping immobilized Au nanoplates through plasma treatment is demonstrated, resulting in the formation of nearly periodic right pyramid arrays on the surface. The gaseous environment in the plasma-treatment system, specifically nitrogen-containing environments, plays a significant role in the reshaping process. The reshaped Au nanoplates exhibit enhanced optical properties, including higher refractive index sensitivities and increased surface-enhanced Raman scattering intensities.
Article
Nanoscience & Nanotechnology
Yan-Ling Liu, Jian Zhu, Guo-Jun Weng, Jian-Jun Li, Jun-Wu Zhao
Summary: This paper investigates the optical properties and local electric field distribution of the transverse plasmon mode of a single pentagonal gold nanotube using the discrete dipole approximation (DDA) for the first time. The study shows that the transverse plasmon peaks can shift nonlinearly from visible to infrared region by controlling the inner diameter, and the number of peaks increases when the tube wall is thin enough. By tuning the inner and outer diameter parameters, selective control over the transverse plasmon spectra of gold nanotube can be achieved, which is significant for the study of optical properties and applications in molecular detection and biological imaging.
Review
Chemistry, Physical
Neepa T. Maitra
Summary: Time-dependent density functional theory is a preferred method for calculating spectra and response properties in physics, chemistry, and biology. Its ability to scale to larger systems has made computations possible that were not previously achievable. While simple functional approximations have been successful in handling increasingly complex and interesting systems, there is a growing awareness that these approximations may fail for certain classes of problems. This review discusses the challenges and progress in describing double excitations and charge-transfer excitations, two common obstacles to the theory's application.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY
(2022)
Article
Nanoscience & Nanotechnology
Guangli He, Yunhe Lai, Yanzhen Guo, Hang Yin, Binbin Chang, Man Liu, Shouren Zhang, Baocheng Yang, Jianfang Wang
Summary: This study presents a facile method for synthesizing TiO2-tipped Au nanobipyramids (NBPs) to create (Au NBP)/t-TiO2 nanodumbbells, which exhibit enhanced photocatalytic activity through photo-reduction and photo-oxidation processes. The effect of plasmonic hotspots on the enhancement of photocatalytic activity is confirmed by both experimental and simulation results.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Optics
Yuming Huang, Yilin Wang, Kun Liang, Li Yu
Summary: This study introduces a novel full-quantum method to investigate the interaction between a single emitter and a plasmonic nanocavity, finding an optimal surface-fluorescence enhancement near an intermediate coupling regime and revealing how strong electric-field enhancement broadens the plexciton's linewidth in the PL spectrum. By comparing the revised PL spectrum with the scattering spectrum, the study suggests that the optimal fluorescence splitting occurs at the critical point between the intermediate coupling regime and strong coupling regime.
Article
Chemistry, Multidisciplinary
Ruoqi Ai, Xinyue Xia, Han Zhang, Ka Kit Chui, Jianfang Wang
Summary: In this study, the coupling between individual asymmetric Au nanocups and excitons in WS2 monolayer and multilayer is investigated. The resonance coupling strength from weak to strong regimes is achieved by adjusting the orientation of the Au nanocups on WS2 monolayer. Different energy detunings are obtained by varying the size of the Au nanocup. A dependence of the coupling strength on the layer number is observed in the coupling between Au nanocups and WS2 multilayer. This research provides a promising approach for realizing different coupling regimes in a simple hybrid system.
Review
Chemistry, Multidisciplinary
Nonappa
Summary: As nanotechnology advances, there is a growing need for engineering nanomaterials with atomic-level precision for self-assembly. This article discusses the potential of virus capsids and atomically precise nanoparticles in designing self-assembly at different length scales.
CHEMICAL COMMUNICATIONS
(2023)
