Article
Computer Science, Information Systems
Rui Chen, Li Chen, Sai Li, Rui Liu, Xuantian Li, Shuting Shi, Cheng Gu, Jianwei Han
Summary: This paper investigates the pulse-broadening effect and SET-sensitive region distribution in logic circuits implemented with 28 nm UTBB FDSOI technology using the pulsed-laser mapping technique. The experiments measure the SET-induced errors and map the SET-sensitive region distribution at different clock frequencies and laser energy levels. The results show that the number of errors increases with clock frequency and energy for combinational logic circuits, and that the flip-flop SEU rate is less sensitive to clock frequency.
Article
Chemistry, Analytical
Wenju Zhou, Zifeng Zhang, Qingwei Zhang, Dongfeng Qi, Tianxiang Xu, Shixun Dai, Xiang Shen
Summary: Femtosecond laser-induced crystallization and ablation of Ge2Sb2Te5 (GST) phase change film were studied using reflectivity pump-probing technology. Different crystallization structures and rates were observed at different laser fluences. The crystallization rate was found to be faster than the ablation rate of the GST film due to different reflectivity properties.
Article
Chemistry, Physical
Rulin Wang, Fuzhen Bi, Wencai Lu, Xiao Zheng, ChiYung Yam
Summary: The study introduces a novel method to track the electronic dynamics of molecules on a material's surface by measuring tunneling charges, identifying the interference mechanism of electronic oscillations, estimating the charge transfer rate from molecules to the environment, and showing that adjusting the CEP of pulses can precisely alter the tunneling charge.variance.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Organic
Gabrielle Warren, Joshua E. Barker, Lev N. Zakharov, Michael M. Haley
Summary: In this study, four naphthothiophene-fused s-indacene isomers were reported, with one showing higher antiaromaticity compared to the parent s-indacene. Computational analysis and experimental techniques such as nuclear magnetic resonance spectroscopy, X-ray crystallography, ultraviolet-visible spectrophotometry, and cyclic voltammetry were used to confirm this surprising finding, highlighting the unique properties of this heterocycle-fused s-indacene molecule.
Article
Chemistry, Multidisciplinary
Joel G. Fallaque, Sandra Rodriguez-Gonzalez, Cristina Diaz, Fernando Martin
Summary: This study presents a systematic theoretical investigation of the conductance of different disubstituted acenes, revealing that the relative variation of conductance can be well explained by the variations of HOMO energies as predicted by a simple extended-Huckel approach. The model accurately predicts the conductance trends among different types of acenes and linkers, providing insights into engineering molecular conductance. This approach is expected to be useful in predicting trends in the conductance of a wide range of disubstituted acene isomers.
Article
Materials Science, Multidisciplinary
Xiaobin Chen, Jiangtao Yuan, Jian Wang
Summary: The study presents a closed-form formula to calculate transient thermal currents in nanoscale phonon devices, showing that the transient currents are significantly larger than steady-state currents. The periodicity of oscillations and relaxation time are determined by poles of the phonon Green's function, with transient thermal currents influenced by temperature and coupling.
Article
Chemistry, Multidisciplinary
Saisai Yuan, Xiaohui Xu, Abdalghani Daaoub, Chao Fang, Wenqiang Cao, Hang Chen, Sara Sangtarash, Jiangwei Zhang, Hatef Sadeghi, Wenjing Hong
Summary: Single-atom control allows for modulation of electrical conductance and thermopower in polyoxometalate clusters, leading to manipulation of charge transport at the single-atom level. This work provides fundamental insight into the tuning of charge transport in POM single-cluster junctions through atomic precision.
Article
Chemistry, Multidisciplinary
Chen Yang, Yanwei Li, Shuyao Zhou, Yilin Guo, Chuancheng Jia, Zhirong Liu, Kendall N. N. Houk, Yonatan Dubi, Xuefeng Guo
Summary: Stereochemistry plays a crucial role in organic synthesis, biological catalysis, and physical processes. Monitoring chirality variations in single molecule systems is challenging but important for understanding the properties induced by the chiral nature of molecules.
Article
Chemistry, Multidisciplinary
Nadia El Alouani-Dahmouni, Renato Rabelo, Julia Mayans, Nicolaas Moliner, Salah-Eddine Stiriba, Miguel Julve, Anna Switlicka, Barbara Machura, Rafael Ruiz-Garcia, Joan Cano
Summary: Using a new single-crystal-to-single-crystal transformation method, a partial loss of crystallization water molecules in a Gd-Ni complex results in a reversible dihydrate derivative, leading to solvatoswitchable single-molecule magnets for molecular spintronics and quantum computing.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Multidisciplinary Sciences
Hiroshi Imada, Miyabi Imai-Imada, Kuniyuki Miwa, Hidemasa Yamane, Takeshi Iwasa, Yusuke Tanaka, Naoyuki Toriumi, Kensuke Kimura, Nobuhiko Yokoshi, Atsuya Muranaka, Masanobu Uchiyama, Tetsuya Taketsugu, Yuichiro K. Kato, Hajime Ishihara, Yousoo Kim
Summary: A single-molecule spectroscopic method with micro-electron volt energy and submolecular-spatial resolution has been developed to induce molecular luminescence in scanning tunneling microscopy. The state-selective characterization of energy levels and linewidths of individual electronic and vibrational quantum states of a single molecule has been demonstrated. Tuning energy levels of molecular systems through the Stark effect and plasmon-exciton coupling in the tunneling junction opens up possibilities for creating designed energy-converting functions.
Article
Optics
Lin-Guang Guo, Yong Yao, Jia-Nan Duan, Xiao-Chuan Xu, Ke Xu, Jia-Jun Tian, Yan-Fu Yang, Yun-Xu Sun
Summary: GBT nanoflakes with a thickness of about 3 nm were fabricated using liquid-phase exfoliation. The GBT-SA exhibited excellent nonlinear optical effects and showed great potential in applications such as fiber communication and ultrafast lasers.
OPTICS AND LASER TECHNOLOGY
(2023)
Article
Mechanics
Fabian Reuter, Tokushi Sato, Valerio Bellucci, Sarlota Birnsteinova, Carsten Deiter, Jayanath C. P. Koliyadu, Romain Letrun, Pablo Villanueva-Perez, Richard Bean, Adrian P. Mancuso, Alke Meents, Patrik Vagovic, Claus-Dieter Ohl
Summary: The fragmentation dynamics of single water droplets from laser irradiation were studied using megahertz frame rate x-ray microscopy. Two mechanisms, laser ray caustics formation and homogeneous cavitation, were found to be responsible for the initial explosive fragmentation of the droplet. Further atomization occurred in three stages.
Article
Biochemistry & Molecular Biology
Andrew J. Lee, Masayuki Endo, Jamie K. Hobbs, A. Giles Davies, Christoph Walti
Summary: The study used DNA nanostructure-augmented high-speed AFM to directly observe the RecA-orchestrated alignment of homologous DNA strands, revealing transient sampling of micro-homology by RecA during the search for sequence alignment. These transient interactions are early steps in the search for sequence homology.
NUCLEIC ACIDS RESEARCH
(2021)
Article
Chemistry, Multidisciplinary
Yaping Zang, E-Dean Fung, Tianren Fu, Suman Ray, Marc H. Garner, Anders Borges, Michael L. Steigerwald, Satish Patil, Gemma Solomon, Latha Venkataraman
Summary: The structural changes in a DPP molecule induced by charge transport at a high bias increase the average nonresonant conductance of Au-DPP-Au junctions and lead to planarization of the molecular backbone. This conformational planarization is assisted by thermally activated junction reorganization and only occurs under specific electronic conditions.
Article
Physics, Multidisciplinary
Takayuki Ariga, Keito Tateishi, Michio Tomishige, Daisuke Mizuno
Summary: The study showed that noisy external forces can accelerate the movement of kinesin molecules, especially under large hindering loads. This behavior is consistent with a theoretical model of two-state reactions, suggesting a universal noise-induced acceleration mechanism in intracellular enzymes. This indicates that active fluctuations in cells are utilized to promote various physiological processes, rather than just being considered as noise.
PHYSICAL REVIEW LETTERS
(2021)
Article
Chemistry, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)