Article
Chemistry, Physical
Qizhou Chen, Yan Ho Kwok, Weijun Zhou, Guanhua Chen, Shaul Mukamel
Summary: A new time-domain simulation protocol for two-dimensional electronic spectra with photocurrent detection is presented in this study. Time-dependent density functional theory is applied to evaluate the photocurrent response, and a non-perturbative phase-matching approach is implemented to extract the fourth-order photocurrent signal. The simulations reveal resonant interactions between transition dipoles and incident pulses, and the identification of different sample-electrode couplings based on peaks/valleys in photocurrent spectra. Additionally, the qualitative reproduction of experimental spectra of a PbS quantum dot photocell shows stimulated electron dynamics.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Lukas Graf, Martin Knupfer, Qingqing Wang, Mats Fahlman, Xianjie Liu
Summary: Two-dimensional, high-quality perylene single crystals were successfully grown using a space-confined strategy method. The films exhibited alpha form crystallization, which was confirmed through various techniques. The optical absorption measurements showed strong anisotropy and excellent agreement with literature data, while the field-effect transistor's anisotropic mobility data demonstrated high crystalline order. Momentum-dependent studies using electron energy-loss spectroscopy revealed negative dispersion of the first exciton along the crystal b direction, with an exciton bandwidth of 72 meV. The observed behavior is believed to be a result of charge-transfer exciton coupling between perylene dimers in the unit cell.
Article
Materials Science, Multidisciplinary
Ivan Amelio
Summary: Multidimensional spectroscopy is a popular tool for studying electronic transitions and many-body dynamics in correlated materials. In this study, we use a proposed protocol to extract two-dimensional polaron spectra in a Fermi superfluid with an impurity. Our results show that multidimensional spectroscopy does not provide much additional information, especially in the absence of incoherent processes. Although our calculation is based on ultracold gases, we discuss the implications for exciton polarons in two-dimensional materials.
Article
Chemistry, Multidisciplinary
Thomas Quenzel, Daniel Timmer, Moritz Gittinger, Jennifer Zablocki, Fulu Zheng, Manuela Schiek, Arne Lutzen, Thomas Frauenheim, Sergei Tretiak, Martin Silies, Jin-Hui Zhong, Antonietta De Sio, Christoph Lienau
Summary: Increasing the exciton coherence length of squaraine aggregates by preparing them on a metallic substrate rather than a dielectric substrate can improve the transport properties and optical response of molecular nanostructures. The reduced disorder and enhanced exciton-plasmon coupling effects observed on a gold film demonstrate the potential for improving coherent transport properties of molecular aggregates and tailoring their collective optical response for quantum optical applications.
Article
Chemistry, Physical
Klaus Reimann, Michael Woerner, Thomas Elsaesser
Summary: This article discusses the current status of 2D-THz spectroscopy, covering key concepts and recent results related to interactions with matter. It includes the response of vibrational excitations in molecular crystals, nonperturbative light-matter interaction, field-driven ionization processes, and electron transport in liquid water.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Lars Mewes, Rebecca A. Ingle, Andre Al Haddad, Majed Chergui
Summary: Two-dimensional Fourier transform spectroscopy is a promising technique for studying ultrafast molecular dynamics, providing a more complete picture of dynamics with broadband laser pulses. This experiment presented visible broadband 2D spectra of dye molecules, revealing vibrational coherences and information about structural motion, and allowing for acquisition of 2D spectra with high bandwidth and temporal resolution.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Zachary T. Armstrong, Miriam Bohlmann Kunz, Martin T. Zanni
Summary: By utilizing 2DWL measurements, it was found that ternary films of PM6 mixed with Y6 or IT4F have shorter lifetime and faster spectral diffusion compared to binary films. Line shape analysis of the ground state bleach revealed similar fluctuations amplitudes but different relaxation times in transitions frequencies for all three films. The faster dynamics observed in the ternary film suggests that the choice of acceptor molecules impacts the femtosecond fluctuations of PM6.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Physical
Damianos Agathangelou, Ariba Javed, Francesco Sessa, Xavier Solinas, Manuel Joffre, Jennifer P. Ogilvie
Summary: This translation introduces a rapid-scanning fluorescence-detected two-dimensional electronic spectroscopy method that can acquire linear and nonlinear signals in a single measurement, and is able to correct spectral phase distortions and accurately phase the data.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Biochemistry & Molecular Biology
Francesco Segatta, David M. Rogers, Naomi T. Dyer, Ellen E. Guest, Zhuo Li, Hainam Do, Artur Nenov, Marco Garavelli, Jonathan D. Hirst
Summary: A fully quantitative theory on the relationship between protein conformation and optical spectroscopy would enhance understanding of protein dynamics and folding in biophysical and simulation studies. Recent advances in calculating near-UV bands, achieved through consideration of the vibrational structure of aromatic side chains, have improved accuracy in these calculations.
Article
Instruments & Instrumentation
Gang-Hua Deng, Qianshun Wei, Yuqin Qian, Tong Zhang, Xuan Leng, Yi Rao
Summary: The article introduces a fourth-order two-dimensional electronic spectroscopy based on interfaces and surfaces for studying the structure and dynamics of interfaces and surfaces. By introducing a specific laser source and encoding system, a more comprehensive surface spectrum coverage is achieved with the new techniques, successfully demonstrating dark states and surface state interactions on p-type GaAs surfaces.
REVIEW OF SCIENTIFIC INSTRUMENTS
(2021)
Article
Chemistry, Multidisciplinary
Linghao Yan, Orlando J. Silveira, Benjamin Alldritt, Shawulienu Kezilebieke, Adam S. Foster, Peter Liljeroth
Summary: The research extends the synthesis of 2D MOFs beyond metal and semiconducting surfaces to superconducting substrates, allowing for the design of new heterostructures. By characterizing the structural and electronic properties of the 2D MOF through experiments and DFT calculations, the formation of the kagome band structure from building blocks is revealed.
Review
Chemistry, Multidisciplinary
Huanyu Dai, Ridong Wang
Summary: This paper introduces the theoretical and experimental methods for evaluating the thermal conductivity of 2D materials and discusses the factors affecting the thermal conductivity. It is of great significance for guiding the application of 2D materials in micro/nanodevices.
Article
Materials Science, Multidisciplinary
Martin Aeschlimann, Tobias Brixner, Mirko Cinchetti, Martin Feidt, Norman Haag, Matthias Hensen, Bernhard Huber, Tristan Kenneweg, Jobynson Kollamana, Christian Kramer, Walter Pfeiffer, Stefano Ponzoni, Benjamin Stadtmuller, Philip Thielen
Summary: This paper demonstrates a surface-sensitive two-dimensional coherent spectroscopy scheme based on photoelectron detection, studying the interface formed between Alq(3) and a ferromagnetic Co surface. Despite inhomogeneous linewidth broadening in the ensemble of disordered molecules, two narrow resonances are resolved, identifying them as LUMO to LUMO + 1 transitions in chemically decoupled second-layer Alq(3) molecules.
Article
Nanoscience & Nanotechnology
Qiang Zhang, Danjun Liu, Qun Ren, Nicolae C. Panoiu, Li Lin, Jian Ye, Yang Huang, Shao-Ding Liu, Chi Wah Leung, Dangyuan Lei
Summary: The study investigates the plasmonic properties of gold CMS nanojunctions and the impact of electron transport on them using two-photon luminescence spectroscopy. The results suggest that the near-field response is more affected by electron transport than the far-field property, contributing to the understanding of charge transport mechanisms in molecular structures.
Article
Chemistry, Multidisciplinary
Hui Zhang, Madisen Holbrook, Fei Cheng, Hyoungdo Nam, Mengke Liu, Chi-Ruei Pan, Damien West, Shengbai Zhang, Mei-Yin Chou, Chih-Kang Shih
Summary: The synthesis of a single atomic sheet of honeycomb structure BeO (h-BeO) grown on Ag(111) thin films on Si(111) wafers using molecular beam epitaxy (MBE) is reported. The h-BeO has a lattice constant of 2.65 A and an insulating band gap of 6 eV. Weak interaction between h-BeO layer and Ag(111) substrate is found, making h-BeO an attractive candidate for future technological applications.
Article
Chemistry, Physical
Brendan D. Folie, Jenna A. Tan, Jianmei Huang, Peter C. Sercel, Milan Delor, Minliang Lai, John L. Lyons, Noam Bernstein, Alexander L. Efros, Peidong Yang, Naomi S. Ginsberg
JOURNAL OF PHYSICAL CHEMISTRY A
(2020)
Article
Chemistry, Physical
Trevor D. Roberts, Rongfeng Yuan, Limin Xiang, Milan Delor, Ravi Pokhrel, Ke Yang, Emad Aqad, Tomas Marangoni, Peter Trefonas, Ke Xu, Naomi S. Ginsberg
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2020)
Article
Chemistry, Physical
Shu-Hao Yeh, Aaditya Manjanath, Yuan-Chung Cheng, Jeng-Da Chai, Chao-Ping Hsu
JOURNAL OF CHEMICAL PHYSICS
(2020)
Article
Chemistry, Physical
Wei-Chih Chen, Yuan-Chung Cheng
JOURNAL OF PHYSICAL CHEMISTRY A
(2020)
Article
Chemistry, Physical
Man Tou Wong, Yuan-Chung Cheng
Summary: The study presents an efficient method for simulating 2D electronic spectra of condensed-phase systems with explicit treatment of quantum nuclear wave packet dynamics. By combining quantum Langevin equation approach for dissipation and perturbative scheme for calculating polarizations, the method provides a consistent description of nuclear quantum dynamics, pulse-overlap effects, and vibrational relaxation. The results demonstrate the capability of the proposed method in describing vibrational relaxation, decoherence, vibrational coherence transfer, as well as identifying vibrational quantum beats specific to excited-state vs ground-state nuclear wave packet dynamics.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
James K. Utterback, Aditya Sood, Igor Coropceanu, Burak Guzelturk, Dmitri Talapin, Aaron M. Lindenberg, Naomi S. Ginsberg
Summary: The study reveals that heat transport at the nanoscale appears subdiffusive due to the tortuosity of heat flow caused by a distribution of nonconductive voids. This finding suggests that heat can navigate circuitous pathways in disordered films of gold nanocrystals.
Editorial Material
Chemistry, Physical
Naomi S. Ginsberg, William A. Tisdale
Summary: Early time transient absorption microscopy in quantum dot solids reveals different temporal regimes of exciton transport within hundreds of femtoseconds after photoexcitation.
Article
Multidisciplinary Sciences
Igor Coropceanu, Eric M. Janke, Joshua Portner, Danny Haubold, Trung Dac Nguyen, Avishek Das, Christian P. N. Tanner, James K. Utterback, Samuel W. Teitelbaum, Margaret H. Hudson, Nivedina A. Sarma, Alex M. Hinkle, Christopher J. Tassone, Alexander Eychmuller, David T. Limmer, Monica Olvera de la Cruz, Naomi S. Ginsberg, Dmitri Talapin
Summary: Colloidal nanocrystals can self-assemble into supercrystals with strong electronic coupling by using conductive inorganic ligands. The development of collective electronic states in ordered nanocrystal assemblies is hindered by insulating organic surface ligands.
Article
Chemistry, Multidisciplinary
Jing Sun, Chun-Chuan Huang, Yuan-Chung Cheng
Summary: A new method for direct derivation of couplings relevant to SF process is proposed, making it easier to evaluate the SF performance of molecular dimers. The study also found that SF rates can be correlated with an SF overlap factor, providing a new approach to finding efficient SF materials.
JOURNAL OF THE CHINESE CHEMICAL SOCIETY
(2022)
Article
Polymer Science
Fu-Sheng Wang, Sheng-Hsiang Lin, Guang-Hong Zheng, Ming-Han Li, Yuan-Chung Cheng, Chi-How Peng
Summary: In cobalt-mediated radical polymerization (CMRP) of methyl acrylate, a linear correlation between equilibrium constants (K-CMRP) and half-wave potential (E-1/2) was observed, which was inconsistent with theoretical calculations until azobisisobutyronitrile (AIBN) coordination was considered. Experimentally, it was confirmed that AIBN acted as the axial ligand to organocobalt(III). Density functional theory calculations showed that the coordinated nitrile stabilized the organocobalt(III) through the formation of an octahedral configuration.
Article
Chemistry, Physical
Leo M. Hamerlynck, Amanda J. Bischoff, Julia R. Rogers, Trevor D. Roberts, Jing Dai, Phillip L. Geissler, Matthew B. Francis, Naomi S. Ginsberg
Summary: Despite extensive studies, many questions remain about the factors affecting energy transfer efficiency in photosynthetic light harvesting protein complexes. In this study, a biomimetic light-harvesting complex was constructed to demonstrate energy transfer capability, and the key factors controlling long-range energy transfer were identified. This system offers a promising model for further research.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Article
Plant Sciences
Chia-Hao Chang, Yi-Chieh Lee, George Hsiao, Li-Kwan Chang, Wei-Chiung Chi, Yuan-Chung Cheng, Shu-Jung Huang, Tai-Chou Wang, Yi-Shan Lu, Tzong-Huei Lee
Summary: This study investigated the liquid-state fermented products produced by the fungal strain Alternaria alstroemeriae Km2286 isolated from the medicinal herb Atriplex maximowicziana Makino. Chromatographic separation resulted in the isolation of compounds 1-9, including four undescribed perylenequinones. Compound 1-6 exhibited antiviral activities against Epstein-Barr virus and compounds 1-4, 6, and 7 showed inhibitory activity of nitric oxide production in lipopolysaccharide-induced microglial BV-2 cells without significant cytotoxicity. This is the first report of perylenequinone-type compounds with potent anti-EBV and anti-neuroinflammatory activities.
JOURNAL OF NATURAL PRODUCTS
(2022)
Article
Chemistry, Multidisciplinary
Jiayi Li, Zhihengyu Chen, Santanu Saha, James K. Utterback, Michael L. Aubrey, Rongfeng Yuan, Hannah L. Weaver, Naomi S. Ginsberg, Karena W. Chapman, Marina R. Filip, Hemamala I. Karunadasa
Summary: This study demonstrates the synthesis of halide perovskites using organosulfides under milder conditions, showcasing the unique properties of (CYS)PbX2 and its potential applications in tandem solar cells. The combination of A+ and X- sites with zwitterions may lead to further exploration of mixed-anion 3D hybrid perovskites in the future.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Chemistry, Physical
Connor G. Bischak, Jonathan G. Raybin, Jonathon W. Kruppe, Naomi S. Ginsberg
Article
Materials Science, Multidisciplinary
Connor G. Bischak, Minliang Lai, Zhaochuan Fan, Dylan Lu, Philippe David, Dengpan Dong, Hong Chen, Ahmed S. Etman, Teng Lei, Junliang Sun, Michael Grunwald, David T. Limmer, Peidong Yang, Naomi S. Ginsberg