Article
Optics
Zhe Guang, Patrick Ledwig, Paloma Casteleiro Costa, Caroline Filan, Francisco E. Robles
Summary: Quantitative oblique back-illumination microscopy (qOBM) is an emerging label-free optical imaging technology that enables 3D, tomographic quantitative phase imaging (QPI) with epi-illumination in thick scattering samples. The study presents a robust optimization of a flexible, fiber-optic-based qOBM system, allowing in silico optimization of the phase signal-to-noise-ratio and eliminating the need for experimental optimization.
Article
Chemistry, Multidisciplinary
Xu Zhang, Xiang Zhang, Pulickel M. Ajayan, Jianguo Wen, Horacio D. Espinosa
Summary: The annihilation of vacancy clusters in monolayer molybdenum diselenide (MoSe2) under electron beam irradiation is achieved by diffusion of vacancies towards the free edge. It is shown that electron beam irradiation and pre-stress in the suspended MoSe2 monolayer are necessary for vacancies to overcome energy barriers for diffusion. This new mechanism of vacancy healing in 2D materials expands the capability of electron beam in defect engineering and tuning the properties of 2D materials for applications.
Article
Chemistry, Multidisciplinary
Yaowei Hu, Matthieu Picher, Marlene Palluel, Nathalie Daro, Eric Freysz, Laurentiu Stoleriu, Cristian Enachescu, Guillaume Chastanet, Florian Banhart
Summary: The unusual expansion dynamics of individual spin crossover nanoparticles were investigated using ultrafast transmission electron microscopy. Upon exposure to nanosecond laser pulses, the particles exhibited significant length oscillations during and after expansion. The observed oscillation period of 50-100 ns was similar to the time required for the particles to transition between low-spin and high-spin states. Monte Carlo calculations incorporating elastic and thermal coupling between molecules within a crystalline spin crossover particle were able to explain the observed length oscillations. The system underwent repeated transitions between the two spin states until relaxation in the high-spin state occurred due to energy dissipation.
Article
Engineering, Chemical
Maiqi Xiang, Olivier Aguerre-Chariol, Martin Morgeneyer, Florian Philippe, Yan Liu, Christophe Bressot
Summary: The study quantified the efficiency uncertainties of particle samplers using Monte-Carlo methods, revealing that uncertainties from experimental calibration and theoretical models are generally less than 1% and 9% respectively. Pore size and flowrate significantly contribute to efficiency uncertainties.
ADVANCED POWDER TECHNOLOGY
(2021)
Review
Chemistry, Multidisciplinary
Haofei Zhao, Yuchen Zhu, Huanyu Ye, Yang He, Hao Li, Yifei Sun, Feng Yang, Rongming Wang
Summary: Nanocrystals play a crucial role in material sciences and industry. Designing nanocrystals with desired structures and properties is a major challenge that requires a deep understanding of atomic-scale dynamics. In situ transmission electron microscopy (TEM), especially environmental TEM, has provided valuable insights into nanocrystals. This comprehensive review highlights the progress in the understanding of nanocrystal dynamics, including nucleation and growth, structure evolution, and dynamics in reaction conditions.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
Tina N. Mihm, Laura Weiler, James J. Shepherd
Summary: This study reveals, for the first time, the contribution mechanisms of Ferroin compounds Fe(CN)3(4e) and Fe(CN)4(2e) to the spectra through analysis of vibrational dynamics and from the perspective of polarized spectra. It is found that the contributions of Fe(CN)3(4e) and Fe(CN)4(2e) exhibit different characteristics in spectral analysis, providing a more comprehensive theoretical understanding.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2023)
Article
Chemistry, Physical
Lei Wang, Lei Zhang, Luyao Zhang, Yulong Yun, Kun Wang, Boyuan Yu, Xin Zhao, Feng Yang
Summary: This study investigates the interface of hard-to-reduce silica-metal catalysts and reveals their behaviors. The Pt/SiO2 catalytic system shows enhanced stability and activity due to the changes in the interface structure under reactive conditions.
Article
Chemistry, Physical
Lei Wang, Lei Zhang, Luyao Zhang, Yulong Yun, Kun Wang, Boyuan Yu, Xin Zhao, Feng Yang
Summary: For the hard-to-reduce silica-metal catalyst, the interface structure and evolution under reactive conditions have been revealed. It was found that Si-0 at the Pt-SiO2 interface underwent reduction and further diffused into the near surface of Pt nanoparticles under H-2. This reconstructed interface with Si diffusion improved the sinter resistance and catalytic stability of the catalyst.
Article
Materials Science, Multidisciplinary
Margit Fabian, Istvan Tolnai, Atul Khanna, Zsolt Endre Horvath, Viktoria Kovacs Kis, Zsolt Kovacs
Summary: Novel Li-, Na-, and K-ion-based oxyhalide materials doped with Ca, Ba, and Mg were synthesized and characterized using various techniques. While significant differences can be observed between the Li/Na/K-series, the diffraction character of the compositions within each series is similar. X-ray diffraction and Raman studies show that the investigated samples absorb water, and TEM studies reveal the morphology of nanograins in the samples.
PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Meirong Li, Lan Ling
Summary: Visualizing liquid structures and processes at the nanoscale is crucial for understanding environmental research. LP-S/TEM is becoming an increasingly indispensable tool for visualizing dynamic environmental processes.
Article
Physics, Multidisciplinary
K. A. H. van Leeuwen, W. J. Schaap, B. Buijsse, S. Borrelli, S. T. Kempers, W. Verhoeven, O. J. Luiten
Summary: In this paper, a scheme for constructing a phase plate in an ultrafast Zernike-type phase contrast electron microscope is proposed. The scheme is based on the interaction between the electron beam and a strongly focused, high-power femtosecond laser pulse as well as a pulsed electron beam. Both analytical expressions and quasiclassical simulations are presented to analyze the phase shift. The feasibility and robustness of the scheme are investigated using simulations, which provide motivated choices for design parameters.
NEW JOURNAL OF PHYSICS
(2023)
Article
Chemistry, Physical
Joonho Lee, Miguel A. Morales, Fionn D. Malone
Summary: The study reveals that the ph-FT-AFQMC method is sufficiently accurate for ab initio systems at high to intermediate electronic densities. It shows that the phaseless constraint at finite temperature is fundamentally different from its zero-temperature counterpart, and one should not necessarily expect agreement between ph-FT-AFQMC and ph-ZT-AFQMC at low temperatures. Additionally, the exchange-correlation energies obtained from ph-FT-AFQMC demonstrate better agreement with a known parameterization compared to restricted path-integral MC in certain conditions.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Kunmo Koo, Stephanie M. Ribet, Chi Zhang, Paul J. M. Smeets, Roberto dos Reis, Xiaobing Hu, Vinayak P. Dravid
Summary: This study evaluated the strengths and limitations of gas-phase E-cell S/TEM technique, revealing degradation of image quality in an E-cell setup and exploring opportunities to improve imaging quality through intelligent choice of experimental parameters.
Article
Nanoscience & Nanotechnology
Chao Jiang, Lingfeng He, Cody A. Dennett, Marat Khafizov, J. Matthew Mann, David H. Hurley
Summary: We demonstrate the use of ab initio basin-hopping simulations in synergy with object kinetic Monte Carlo simulations as a powerful tool for identifying small defect complexes in irradiated materials. Our study reveals an unexpected role of bound anti-Schottky defect clusters in mediating defect transport.
SCRIPTA MATERIALIA
(2022)
Article
Physics, Multidisciplinary
Chao Zhang, Barbara Capogrosso-Sansone, Massimo Boninsegni, Nikolay V. Prokofev, Boris V. Svistunov
Summary: We present results of numerically exact simulations of the Bose one-component plasma, i.e., a Bose gas with pairwise Coulomb interactions among particles and a uniform neutralizing background. We compute the superconducting transition temperature for a wide range of densities, in two and three dimensions, for both continuous and lattice versions of the model. The Coulomb potential causes the weakly interacting limit to be approached at high density, but gives rise to no qualitatively different behavior, vis-à-vis the superfluid transition, with respect to short-ranged interactions. Our results are of direct relevance to quantitative studies of bipolaron mechanisms of (high-temperature) superconductivity.
PHYSICAL REVIEW LETTERS
(2023)
