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
Jiawei Huang, Wenxiao Guo, Shuai He, Justin R. Mulcahy, Alvaro Montoya, Justin Goodsell, Namodhi Wijerathne, Alexander Angerhofer, Wei David Wei
Summary: Plasmon-generated hot holes in metal/oxide heterostructures, which play a crucial role in promoting photochemical reactions, are found to be generated from the interband excitation during the nonradiative plasmon decay. These hot holes can penetrate into TiO2 and be stabilized by surface oxygen atoms, enabling them to oxidize water molecules. This study provides spectroscopic evidence for the photophysical process of plasmon-generated hot holes and elucidates their accumulation sites and functions in photocatalytic oxidation reactions.
Article
Chemistry, Multidisciplinary
Benjamin Mallada, Bruno de la Torre, Jesus Mendieta-Moreno, Dana Nachtigallova, Adam Matej, Mikulas Matousek, Pingo Mutombo, Jiri Brabec, Libor Veis, Timothee Cadart, Martin Kotora, Pavel Jelinek
Summary: This study presents a novel route using on-surface chemistry to synthesize nonalternant polycyclic aromatic hydrocarbons containing up to four distinct kinds of non-benzenoid rings. The surface-induced mechanical constraints and peculiar ring current play a decisive role in forming the energetically unfavorable products. The research offers a new approach for synthesizing novel hydrocarbons with internal stress driven by the surface, not achievable by traditional organic chemistry methods in solution.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Crystallography
Jin Sun, Zongling Ding, Yuanqin Yu, Chuanmei Xie
Summary: The optical properties of hybrid systems composed of silver nanoparticles and azobenzene molecules were studied using a combination of RT-TDDFT and FDTD techniques. The study found that the plasmon resonance of silver nanoparticles can greatly enhance the light absorption of the molecules. Additionally, the resonance peak position and the absorption enhancement ratio also influence the shape of the absorption spectra.
Article
Chemistry, Physical
Cheon Woo Moon, Nikhil C. Bhoumik, Profulla Mondol, Sung Hyuk Park, Ho Won Jang, Christopher J. Barile
Summary: The control of solar light and heat emission through windows is crucial for increasing building energy efficiency. Reversible Zn electrodeposition has emerged as a promising method for creating electronically tintable dynamic windows. In this study, we observe extraordinary absorption in Zn electrodeposits formed from DMSO electrolytes, which exceeds the predicted absorption based on the Beer-Lambert law for a uniform Zn thin film. The low charge required for electroplating allows for the construction of large-area devices that switch uniformly, and the enhanced absorption is attributed to plasmonic effects among Zn nanoparticles and ZnO dendrites in the film. Through this research, design principles are provided for constructing low-charge and high-contrast dynamic windows based on metal and metal oxide.
Article
Chemistry, Physical
Jingzhi Zhang, Hong Zhang
Summary: In this study, the optical properties and tunability of the bandgap of monolayer blue phosphorene were investigated based on density functional theory, revealing its characteristics in different polarization directions. Additionally, a unique 2D rectangular semiconductor-metal hybrid nanostructure of blue phosphorene inserted into Au nanowires was reported, showing potential applications in nanoscale devices. Through the interaction with surface plasmon polaritons, the absorption spectra of blue phosphorene were broadened and shifted to the infrared region, demonstrating the possibility of optical modulation and applications in nanoscale plasma devices.
Article
Optics
Zhiyong Wu, Zhengji Xu
Summary: Acoustic plasmon resonances (APRs) can be excited at nanogaps between graphene and metal surfaces by far-field coupling, with mode sizes of a few nanometers and large momentums. Researchers have analyzed the physical process of APR formation in a graphene-dielectric-metal hybrid structure (GDMHS) and developed a simplified model to predict APR wavelengths, greatly improving experimental efficiency. The GDMHS also functions as a plasmon ruler with high sensitivity for detecting ultrasmall changes in dimensions or materials in nanogaps, and can be actively tuned by adjusting the chemical potential of graphene. APR modes have potential applications in enhanced infrared molecule spectroscopy and strong light-matter interactions at the nanoscale.
OPTICS AND LASER TECHNOLOGY
(2023)
Article
Nanoscience & Nanotechnology
Cheng Zong, Ji-Xin Cheng
Summary: Plasmon-enhanced stimulated Raman scattering (PESRS) microscopy has been developed to achieve single-molecule detection limit. The dispersive-like vibrational line shapes observed in PESRS can be explained by the interference between the local enhanced electromagnetic field induced by the plasmonic nanostructure and the molecular dipole-induced field. The PESRL and PESRG signals exhibit similar signal magnitudes but show reversed dispersive profiles under the same laser wavelength.
Article
Chemistry, Multidisciplinary
Yongkai Wang, Jialin Sun, Zhiduo Li, Qingyan Han, Wei Gao, Lipeng Zhu, Jun Dong, Zhongyue Zhang
Summary: This study introduces a disruption layer and molybdenum disulfide into an L-shaped chiral nanohole array to achieve dynamic adjustment of narrow-band CD signals. The CD signals can be generated and adjusted by changing the structural parameters and the environmental temperature. Furthermore, the structure exhibits a high-quality factor, aiding in the design of chiral devices and improving the sensitivity of chiral molecule detection.
Review
Chemistry, Multidisciplinary
Shenli Wang, Xing Liu, Stefanos Mourdikoudis, Jie Chen, Weiwei Fu, Zdenek Sofer, Yuan Zhang, Shunping Zhang, Guangchao Zheng
Summary: This article summarizes and discusses the role of chiral gold nanorods in the interaction between light and matter, as well as the origin of chirality, chirality transfer, and chiroptical activities. The study is of great significance for manipulating chirality at the nanoscale, revealing natural evolution processes, and circularly polarized applications.
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, Multidisciplinary
Afsaneh Abareshi, Maghsoud Arshadi Pirlar, Mahboubeh Houshiar
Summary: In this study, gold nanorods were synthesized and their photothermal properties were experimentally and theoretically investigated. The results showed that gold nanorods can be applied in photothermal therapy, with a good agreement between experimental and theoretical results.
NEW JOURNAL OF CHEMISTRY
(2021)
Article
Optics
Shu-cheng Lo, Chia-wei Lee, Ruey-lin Chern, Pei-kuen Wei
Summary: In this work, high-performance surface plasmonic sensors using gold nanostructures and Bragg photonic structures are presented. The hybrid Tamm-plasmon mode, resulting from the Fano coupling between higher order Tatum plasmon states and Bloch-wave surface plasmon polariton on the gold nanoslit array, demonstrates high surface sensitivity and resonant quality. The experimental results show that the hybrid mode has significantly higher sensitivity and better signal-to-noise ratios in biomolecular interaction measurement.
Article
Chemistry, Analytical
Edwin J. Ortiz-Riano, Diana L. Mancera-Zapata, Martha Ulloa-Ramirez, Fernando Arce-Vega, Eden Morales-Narvaez
Summary: Macromolecular association is important in biomedical sciences. This study presents a real-time biosensing platform using graphene oxide-modified microwell plates and fluorophore-labeled proteins to determine protein-binding constants. The platform proves to be comparable and consistent with existing methods in determining protein kinetics constants.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Analytical
Benjamin Charron, Alexandre Delorme, Caroline Dubois, Maryam Hojjat Jodaylami, Jean-Francois Masson
Summary: This study reveals the significant impact of human serum albumin (HSA) on the response and binding constants of sensing assays, while bovine serum albumin (BSA) does not show the same effect. The results also highlight the importance of the matrix protein/analyte/receptor interactions in determining the assay response.
Article
Chemistry, Multidisciplinary
Justin B. Patty, Shana Havenridge, Dylan Tietje-Mckinney, Maxime A. Siegler, Kundan K. Singh, Roumina Hajy Hosseini, Mohamed Ghabin, Christine M. Aikens, Anindita Das
Summary: The article reports the first example of a chiral mixed thiolate/stibine-protected gold cluster, with the chirality originating from a unique arrangement on an achiral Au-13 core. The structure and properties of this new Au-18 cluster are found to be different from other reported achiral Au-18 clusters and the only other stibine-protected [Au-13(SbPh3)(8)Cl-4](+) cluster, highlighting the importance of detailed analysis on its geometric and electronic structures for understanding its optical properties, reactivity, and stability.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Physical
Zhen Liu, M. Belen Oviedo, Bryan M. Wong, Christine M. Aikens
Summary: Using real-time quantum dynamics calculations, the theoretical investigations of light-induced interactions and electronic excitation transfer in a silver nanoparticle dimer were performed. The results reveal that the coupling between nanoparticle monomers is dependent on the separation distance between the nanoparticles in the dimer, and this coupling variation has significant effects on the electronic dynamics and light absorption of the dimer.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Christine M. Aikens, Yuchen Wang, Alice Li, Jacqueline Pinkerton
Summary: In this study, the role of diglyme in the synthesis of gold nanoclusters was investigated using density functional theory (DFT). The results showed that diglyme plays a crucial role in the synthesis of gold nanoclusters, and insights into the binding motifs and NMR chemical shifts of diglyme-nanocluster complexes were provided.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Chemistry, Physical
Shana Havenridge, K. L. Dimuthu M. Weerawardene, Christine M. Aikens
Summary: Developments in nanotechnology have enabled the creation of functional materials with atomic precision. Thiolate-protected gold nanoclusters, known for their stability and tunable structure-property relationships, have attracted research attention. This paper focuses on the doping of Au24Pt(SR)(18) clusters and its impact on their optical and photoluminescent properties. Density functional theory methods are employed to analyze the geometry and properties of these clusters, and the influence of different ligands is also investigated.
FARADAY DISCUSSIONS
(2023)
Editorial Material
Chemistry, Physical
Christine M. Aikens, Hakim Amara, Vincenzo Amendola, Francesca Baletto, Stephan Barcikowski, Noelia Barrabes, Valerie Caps, Fuyi Chen, Daojian Cheng, Vana Chinnappa Chinnabathini, Emmanuel Cottancin, Isaac T. Daniel, Kobe De Knijf, Alessandro Fortunelli, Didier Grandjean, Graham J. Hutchings, Ewald Janssens, Robert M. Jones, Christian Kuttner, Alexander I. Large, Eric Marceau, Marcelo M. Mariscal, Pinkie Ntola, Jonathan Quinson, Mzamo Shozi, Swathi Swaminathan, Mona Treguer-Delapierre, Lichang Wang, Hans-Christian Weissker, Miguel Jose Yacaman, Yufei Zhang
FARADAY DISCUSSIONS
(2023)
Editorial Material
Chemistry, Physical
Christine M. Aikens, Caroline Chick Jarrold
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Physical
Olivia A. Hull, Christine M. Aikens
Summary: Plasmonic nanoparticles have the potential to activate bond in adsorbed molecules at visible light region, making them promising catalysts. However, the exact mechanisms behind this activation process are still unclear. In this study, the Ag8-X2 (X = N, H) model systems are evaluated to investigate the bond activation processes of N2 and H2 facilitated by atomic silver wire under excitation at plasmon resonance energies. The results show that both small molecules can undergo dissociation at high electric field strengths, with H2 activating at lower electric field strengths compared to N2. This work provides insights into the complex dynamics between plasmonic nanowires and adsorbed small molecules.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Physical
Yuchen Wang, Christine M. Aikens
Summary: Plasmon-enhanced nitrogen dissociation using noble metal nanoparticles has been studied both experimentally and computationally. However, the mechanism of this process is not well understood. This study investigates the dissociation of nitrogen molecules on atomically thin Ag-n nanowires (n = 6, 8, 10, 12) and a Ag-19 (+) nanorod using theoretical approaches. The results provide insights into the mechanisms involved in plasmon-enhanced nitrogen dissociation and factors that can improve adsorbate activation.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Physical
William R. Jeffries, Christine M. Aikens, Kenneth L. Knappenberger Jr
Summary: This study investigates the electronic relaxation dynamics of gold nanoclusters and emphasizes the importance of electronic state symmetry in determining the relaxation pathways. The results reveal the surprising influence of excited state symmetry on carrier relaxation in metal colloids, providing insights for controlling energy flow in metal nanoclusters.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Physical
Yuchen Wang, Christine M. Aikens
Summary: In this study, the mechanism of H2 activation was investigated using a simplified triangular Au-6/Ag-6 cluster model to study the effects of the electric field on electron redistribution and bond activation. The results showed that both static and continuous wave fields have effects on geometrical changes, molecular orbital reordering, and electronic charge redistribution. Real-time time-dependent density functional theory was applied to examine how different excitation frequencies and polarizations affect bond activation. Through these studies, the effects of static and continuous wave field on plasmon-induced H2 activation can be understood.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Kundan K. K. Singh, Ayan Bhattacharyya, Shana Havenridge, Mohamed Ghabin, Hagan Ausmann, Maxime A. A. Siegler, Christine M. M. Aikens, Anindita Das
Summary: This article reports the synthesis and optical properties of a novel [Au-6(SbP3)(2)][PF6](2) cluster. The cluster, despite lacking spherical symmetry in the core, exhibits exceptional thermal and chemical stability. Experimental and theoretical evaluations are conducted to examine its detailed structural attributes and optical properties. It is the first report of a gold cluster protected via synergistic multidentate coordination of stibine (Sb) and phosphine moieties (P). In addition, the critical role of overall-ligand architecture in stabilizing mixed ligand-protected gold clusters is demonstrated.
Article
Chemistry, Physical
Christine M. Aikens, Olivia A. Hull
Summary: Plasmonic nanoparticles can activate the bonds of nearby molecules through excitation of the nanoparticle's plasmon resonance, serving as promising catalysts. However, the precise mechanisms of bond activation are not yet fully understood.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Physical
Shana Havenridge, Christine M. Aikens
Summary: This article investigates the geometric, optical, and photoluminescent properties of Au-22(ETP)(18) and Au-22(C CR)(18) clusters with different organic ligands, and provides supplementary benchmarking of the geometric and optical properties among the three ligands at different theory levels. The results suggest that the photoluminescence mechanism with the ETP ligand involves ligand-to-metal-to-metal charge transfer, while PA and ET are likely a result of core-dominated fluorescence.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Multidisciplinary
Gowri Udayangani Kuda-Singappulige, Phillip S. Window, Christopher A. Hosier, Ian D. Anderson, Christine M. Aikens, Christopher J. Ackerson
Summary: The crystal structures of four ligand-rotational isomers of Au-25(PET)(18) are presented. Two new isomers are discovered, and two higher-quality structures of previously solved clusters are also provided. The chiral structure of Au-25(SR)(18) is the first of its kind. The analysis of the structures sheds light on the empirical ligand conformation landscape for Au-25(SR)(18) clusters, showing restricted and interdependent dihedral angles within the PET ligand. The influence of ligand conformational isomerism on optical and electronic properties is also investigated.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Ian D. Anderson, Yuchen Wang, Christine M. Aikens, Christopher J. Ackerson
Summary: The synthesis and characterization of an Au-20(PET)(15)(DG)(2) cluster is reported. The cluster shows increased thermal stability compared to a similar cluster with different ligands.