Article
Chemistry, Multidisciplinary
Xiaofei Miao, Weiyun Yao, Ruizhe Chen, Mingxuan Jia, Can Ren, Hui Zhao, Tingchao He, Quli Fan, Wenbo Hu
Summary: Controlling intermolecular nonradiative decay can improve the photothermal performance of organic materials. A study demonstrates the manipulation of interNR decay through the formation of dimers using intermolecular C-F...H hydrogen bonds, resulting in improved photothermal performance. This research provides insights for developing high-performance organic photothermal materials.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
Tsubasa Hidaka, Taketomo Tanaka, Takayuki Murai, Takahiro Teramoto, Yutaka Nagasawa
Summary: Femtosecond time-resolved transient absorption measurement of phenol blue (PhB) revealed the existence of long-lived heterogeneity in protic solvents, while the system rapidly returns to thermal equilibrium in aprotic solvents on an ultrafast timescale. Interestingly, the heterogeneity lifetime is longer in methanol solution compared to ethanol, indicating stronger interaction between PhB and methanol.
Article
Chemistry, Physical
Michael Wenzel, Roland Mitric
Summary: The prediction of nonradiative rates in molecules is essential for assessing their emissive properties. Current global harmonic models have limitations in accurately calculating internal conversion rates, and thus there is a need for more accurate semiclassical methods.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Review
Automation & Control Systems
Zongjie Chen, Jin Yang, Hongbing Liu, Yixuan Zhao, Rui Pan
Summary: This paper provides an overview of the advances in the fabrication of functionalized metallic surfaces using ultrafast laser micromachining. It discusses the principles of interaction between ultrafast laser and metallic materials, presents state-of-the-art knowledge on fabrication methods based on surface topography, and highlights the functionalized properties of laser micro-machined metals. Furthermore, it addresses the challenges and future prospects of surface functionalized metals.
INTERNATIONAL JOURNAL OF ADVANCED MANUFACTURING TECHNOLOGY
(2022)
Article
Chemistry, Physical
Naeem Ullah, Shunwei Chen, Ruiqin Zhang
Summary: Through density functional excited-state nonadiabatic dynamics simulations, it was found that the electron-driven proton transfer reaction from water to adenine plays a key role in the ultrafast relaxation of adenine. The research comparing the 7H and 9H isomers suggests that adenine molecules with a specific number of water molecules have different relaxation mechanisms in water.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Ruth Chau-Ting Chan, Chris Tsz-Leung Chan, Chensheng Ma, Kang-Yi Gu, Han-Xin Xie, Allen Ka-Wa Wong, Qing-Wu Xiong, Ming-Liang Wang, Wai-Ming Kwok
Summary: This study investigates the excited state dynamics of protonated Adenosine (AdoH(+)) using ultrafast time-resolved fluorescence spectroscopy and theoretical calculation, revealing different conformers leading to distinct excited states and decay dynamics. Protonation and solvent environment play a crucial role in dramatically altering the excited states of Ado, providing valuable insights for understanding the nonradiative dynamics of both monomeric bases and oligomeric or polymeric DNAs.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Hannah C. Friedman, Emily D. Cosco, Timothy L. Atallah, Shang Jia, Ellen M. Sletten, Justin R. Caram
Summary: The paper investigates the rational design of bright near and shortwave infrared emitters, deriving an energy gap quantum yield master equation to describe the limits in SWIR quantum yields for organic chromophores. It explains the decline of Phi(F) past 900 nm through decreasing radiative rates and increasing nonradiative losses. The study also develops an energy-gap-independent metric for comparing Phi(F) of NIR/SWIR chromophores.
Article
Nanoscience & Nanotechnology
Ngoc Giang Tran, Doo-Man Chun
Summary: Superhydrophobic metallic surfaces with special properties have attracted attention in both research and industry. This study developed an eco-friendly postprocess to simplify the fabrication process and reduce the time. The laser areal fluence parameter was also explored as a way to adjust water adhesion behavior.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Chemistry, Physical
Marco Romanelli, Giulia Dall'Osto, Stefano Corni
Summary: This paper presents a theoretical analysis to interpret the experimental results of TEPL on single molecules, focusing on the probe features that significantly influence the excitation and fluorescence processes of molecules, such as geometry, dielectric function, and tip-molecule distance. The study aims to provide a comprehensive theoretical understanding of the impact of localized surface plasmon resonances of metallic nanostructures on the absorption and emission of molecules in close proximity.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Jiayu Li, Sirui Yang, Ziqi Deng, Shaofei Ni, Shunli Chen, Li Dang, Ming-De Li
Summary: Donor and acceptor compounds based on benzophenone and carbazole have been found to exhibit long afterglow phosphorescence in the solid state. However, the mechanism behind this phenomenon is still unclear. In this study, by designing new compounds and conducting experiments and theoretical calculations, researchers discovered that the excited-state evolution channels can be modified by tuning the substitution positions, which provides new insights for designing efficient luminescent materials.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Jakob D. Asmussen, Rupert Michiels, Ulrich Bangert, Nicolas Sisourat, Marcel Binz, Lukas Bruder, Miltcho Danilov, Michele Di Fraia, Raimund Feifel, Luca Giannessi, Oksana Plekan, Kevin C. Prince, Richard J. Squibb, Daniel Uhl, Andreas Wituschek, Marco Zangrando, Carlo Callegari, Frank Stienkemeier, Marcel Mudrich
Summary: Through extreme-ultraviolet time-resolved electron spectroscopy, the autoionization dynamics of super excited superfluid He nanodroplets doped with Na atoms were studied, revealing four main interatomic Coulombic decay channels with decay times around 1 picosecond, indicating that the dynamics are mainly determined by the droplet environment. Periodic modulation of the transient signals is tentatively attributed to bubble oscillation around the localized He excitation within the droplets.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Medicinal
Cheng-Wei Ju, Hanzhi Bai, Bo Li, Rizhang Liu
Summary: A study established a database of organic fluorescent dyes and developed a new machine learning approach for accurate predictions of emission wavelength and photoluminescence quantum yield. The methodology showed consistently good accuracy across different dye families, efficiency for large-scale predictions, and comparability to traditional quantum mechanical calculations.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2021)
Article
Chemistry, Inorganic & Nuclear
Andre M. T. Muthig, Justin Wieland, Stefan Koop, Carsten Lenczyk, Florian Kerner, Benjamin Hupp, Andreas Steffen
Summary: This study presents a structural, electrochemical, and elaborated photophysical investigation of a series of copper(I) half-sandwich complexes bearing cyclic alkyl(amino)carbenes as chromophore ligands, which exhibit blue-green to orange phosphorescence with potential for photocatalytic applications.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
Thorben Lenk, Sahar Rabet, Miriam Sprick, Gabriele Raabe, Uwe Schroeder
Summary: Electrocatalytic hydrogenation of furfural on metal surfaces is studied to identify effective determinants in the reaction process and develop renewable energy resource 2-methylfuran. In this work, in operando electrochemical Raman Spectroscopy and Molecular Dynamics simulations are used to investigate different characteristics of the interface layer. The influence of applied potentials, electrode material, and electrolyte composition is studied in detail, providing insights into furfural's binding situation, molecular orientation, and reaction mechanism.
Review
Chemistry, Multidisciplinary
Yu-Chen Wei, Kai-Hua Kuo, Yun Chi, Pi-Tai Chou
Summary: Designing bright and efficient near-infrared (NIR) emitters has become a hot research topic in the fields of biological imaging, medical therapy, optical communication, and night-vision devices. Two complementary approaches, exciton delocalization and molecular deuteration, have been proposed to suppress nonradiative internal conversion rates and increase the efficiency of NIR emission. This concept has been experimentally verified using square-planar Pt(II) complexes. The results show high NIR emission efficiency and photoluminescent quantum yield.
ACCOUNTS OF CHEMICAL RESEARCH
(2023)
Correction
Chemistry, Analytical
Johan Grand, Baptiste Auguie, Eric C. Le Ru
ANALYTICAL CHEMISTRY
(2020)
Article
Chemistry, Physical
Boris N. Khlebtsov, Vitaly A. Khanadeev, Andrey M. Burov, Eric C. Le Ru, Nikolai G. Khlebtsov
JOURNAL OF PHYSICAL CHEMISTRY C
(2020)
Article
Chemistry, Multidisciplinary
Aleksa Djorovic, Steven J. Oldenburg, Johan Grand, Eric C. Le Ru
Article
Optics
Adam Francis, Chhayly Tang, Eric C. Le Ru
Summary: This paper presents a rigorous approach for measuring the throughput of an integrating sphere and discusses the impact of optical fibers on the measured sphere throughput. The importance of realistic ports in experiments is emphasized, showing that failure to consider this aspect can lead to erroneous results. Experimental evidence is provided for recent theoretical predictions regarding the effects of optical fibers and angular distribution of light exiting the port.
Article
Multidisciplinary Sciences
Laura E. Revell, Peter Kuma, Eric C. Le Ru, Walter R. C. Somerville, Sally Gaw
Summary: Preliminary modelling shows that airborne microplastics may have a minor cooling influence on the atmosphere, with potential increasing effects on the climate system in the future. However, there are uncertainties regarding the geographical and vertical distribution of microplastics, and without efforts to overhaul plastic production and waste management practices, the abundance and radiative forcing of airborne microplastics will continue to rise.
Article
Chemistry, Physical
Matt R. A. Majic, Baptiste Auguie, Eric C. Le Ru
Summary: This study compares different approximation methods to predict the spectra of metallic spheroidal nanoparticles. The results show that the Taylor expansion provides more accurate predictions and is applicable to a wider range of parameters.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Physical
Yi Zhang, Sujay Prabakar, Eric C. Le Ru
Summary: This study demonstrates the variations in adsorbed species on silver nanoparticles (AgNPs) when different halide ligands are introduced. It also reveals the interference between anionic surfactants (AS) and cationic protein (collagen) on AgNPs.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Chhayly Tang, Baptiste Auguie, Eric C. Le Ru
Summary: The research investigates the impact of adsorbed molecule orientation and position on the surface of metallic nanoparticles on the sensitivity of localized surface plasmon resonance (LSPR) sensing. Results show that molecules with their main optical axis perpendicular to the surface and located near hot spots can induce a significantly larger resonance shift, suggesting potential improvements in LSPR sensing sensitivity through targeted adsorption at hot spots with carefully engineered molecular orientation.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Andrei Stefancu, Julian Gargiulo, Geoffry Laufersky, Baptiste Auguie, Vasile Chis, Eric C. Le Ru, Min Liu, Nicolae Leopold, Emiliano Cortes
Summary: Plasmonic nanoparticles can drive chemical reactions by utilizing sunlight and controlling the interface between nanoparticles and molecules. By modifying the energy landscape and controlling the selectivity of charge and energy transfer, as well as vibrational pumping rate, the selectivity of plasmon-driven chemical reactions can be controlled. This provides a method for selectively targeting chemical bonds by changing the metal-molecule interface.
Article
Limnology
Erik C. Krieger, Wendy A. Nelson, Johan Grand, Eric C. Le Ru, Sarah J. Bury, Amelie Cossais, Simon K. Davy, Christopher E. Cornwall
Summary: This study assesses the calcification physiology of five cool temperate coralline algae in response to different irradiance levels and finds that the enhancement of calcification rates is limited to lower irradiances. The study also suggests the existence of two calcification strategies and indicates that magnesium incorporation is determined by the magnesium to calcium ratio in the calcifying fluid.
LIMNOLOGY AND OCEANOGRAPHY
(2023)
Article
Optics
Chhayly Tang, Baptiste Auguie, Eric C. Le Ru
Summary: In this study, a thin-shell approximation is developed for the Mie scattering problem in a spherical multilayer structure with radially anisotropic dielectric functions. This approximation simplifies the numerical calculations and is applicable to the calculation of optical absorption in each individual layer. Experimental results demonstrate that the thin-shell predictions show excellent agreement with the full solution for experimentally relevant parameters, suggesting that this approximation can be utilized as a substitute to speed up numerical implementation and simplify analytical developments.
Article
Optics
Matt Majic, Walter R. C. Somerville, Eric C. Le Ru
Summary: Recent research has shown that the mean path length of rays inside refractive objects under Lambertian illumination is not independent of the medium's scattering strength, particularly in the case of zero scattering. Trapped ray trajectories play a crucial role in creating an unexpected discontinuity from zero to low scattering. This study provides alternative analytic results for the mean path length of simple refractive shapes under zero scattering conditions.
Article
Materials Science, Multidisciplinary
Chhayly Tang, Baptiste Auguie, Eric C. Le Ru
Summary: This work introduces an effective dielectric function model for anisotropic layers of polarizable molecules adsorbed on metallic surfaces, taking into account orientation effects and coverage dependence. The model is validated by focusing on dyes adsorbed on metallic nanospheres and shows good agreement with more complex microscopic calculations. The effective medium model provides a simple means to study orientation effects and coverage dependence in systems such as dyes adsorbed on nonspherical nanoparticles.
Article
Physics, Fluids & Plasmas
Matt Majic, Eric C. Le Ru
Summary: Logopoles are a class of solutions to Laplace's equation that exhibit interesting mathematical properties, particularly in axisymmetric problems. They generalize solid spheroidal and solid spherical harmonics, and have special significance for multipoles with negative order. Their definitions conserve key properties of the m = 0 case, involving Legendre functions of the second kind and connections to exterior spheroidal harmonics.
Article
Biochemistry & Molecular Biology
Yi Zhang, Megha Mehta, Bradley W. Mansel, Hon Wei Ng, Yang Liu, Geoff Holmes, Eric C. Le Ru, Sujay Prabakar