scholarly journals Screening and Understanding Li Adsorption on Two-Dimensional Metallic Materials by Learning Physics and Physics-Simplified Learning

JACS Au ◽  
2021 ◽  
Author(s):  
Sheng Gong ◽  
Shuo Wang ◽  
Taishan Zhu ◽  
Xi Chen ◽  
Zhenze Yang ◽  
...  
Author(s):  
Md Rubayat-E Tanjil ◽  
Stanley Agbakansi ◽  
Keegan Phayden Suero ◽  
Ossie Douglas ◽  
Yunjo Jeong ◽  
...  

Abstract Two-dimensional (2D) materials have recently garnered significant interest due to their novel and emergent properties. A plethora of 2D materials have been discovered and intensively studied, such as graphene, hexagonal boron nitride, transitionmetal dichalcogenides (TMDCs), and other metallic compound MXenes (nitrides, phosphides, and hydroxides), as well as elemental 2D materials (borophene, germanene, phosphorene, silicene, etc.). Considering the widespread interest in conventional van der Waals 2D materials, two-dimensional metallic nanosheets (2DMNS), a recent addition to the 2D materials family, have exhibited diverse potential spanning optics, electronics, magnetics, catalysis, etc. However, the close-packed, non-layered structure and non-directional, isotropic bonding of metallic materials make it difficult to access metals in their 2D forms, unlike 2D van der Waals materials, which have intrinsically layered structure (strong in-plane bonding in addition to the weak interlayer interaction). Until now, conventional top-down and bottom-up synthesis schemes of these 2DMNS have encountered various limitations such as precursor availability, substrate incompatibility, difficulty of control over thickness and stoichiometry, limited thermal budget, etc. To overcome these manufacturing limitations of 2DMNS, here we report a facile, rapid, large-scale, and cost-effective fabrication technique of nanometer-scale copper (Cu) 2DMNS via iterative rolling, folding, and calendering (RFC) that is readily generalizable to other conventional elemental metallic materials. Overall, we successfully show a scalable fabrication technique of 2DMNS.


2021 ◽  
Author(s):  
Sheng Gong ◽  
Shuo Wang ◽  
Taishan Zhu ◽  
Xi Chen ◽  
Jeffrey Grossman

Abstract Two-dimensional (2D) materials have received considerable attention as possible electrodes in Li-ion batteries (LIBs), although a deeper understanding of the Li adsorption behavior as well as broad screening of the materials space is still needed. In this work, we build a high-throughput screening scheme that incorporates a learned interaction. First, density functional theory and graph convolution networks are utilized to calculate minimum Li adsorption energies for a small set of 2D metallic materials. The data is then used to find a dependence of the minimum Li adsorption energies on the sum of ionization potential, work function of the 2D metal, and coupling energy between Li+ and substrate. Our results show that variances of elemental properties and density are the most correlated features with coupling. To illustrate the applicability of this approach, the model is employed to show that some fluorides and chromium oxides are potential high-voltage materials with adsorption energies < -7 eV, and the found physics is used as the design principle to enhance the Li adsorption ability of graphene. This physics-driven approach shows higher accuracy and transferability compared with purely data-driven models.


1966 ◽  
Vol 24 ◽  
pp. 118-119
Author(s):  
Th. Schmidt-Kaler

I should like to give you a very condensed progress report on some spectrophotometric measurements of objective-prism spectra made in collaboration with H. Leicher at Bonn. The procedure used is almost completely automatic. The measurements are made with the help of a semi-automatic fully digitized registering microphotometer constructed by Hög-Hamburg. The reductions are carried out with the aid of a number of interconnected programmes written for the computer IBM 7090, beginning with the output of the photometer in the form of punched cards and ending with the printing-out of the final two-dimensional classifications.


1966 ◽  
Vol 24 ◽  
pp. 3-5
Author(s):  
W. W. Morgan

1. The definition of “normal” stars in spectral classification changes with time; at the time of the publication of theYerkes Spectral Atlasthe term “normal” was applied to stars whose spectra could be fitted smoothly into a two-dimensional array. Thus, at that time, weak-lined spectra (RR Lyrae and HD 140283) would have been considered peculiar. At the present time we would tend to classify such spectra as “normal”—in a more complicated classification scheme which would have a parameter varying with metallic-line intensity within a specific spectral subdivision.


1966 ◽  
Vol 25 ◽  
pp. 46-48 ◽  
Author(s):  
M. Lecar

“Dynamical mixing”, i.e. relaxation of a stellar phase space distribution through interaction with the mean gravitational field, is numerically investigated for a one-dimensional self-gravitating stellar gas. Qualitative results are presented in the form of a motion picture of the flow of phase points (representing homogeneous slabs of stars) in two-dimensional phase space.


2000 ◽  
Vol 179 ◽  
pp. 229-232
Author(s):  
Anita Joshi ◽  
Wahab Uddin

AbstractIn this paper we present complete two-dimensional measurements of the observed brightness of the 9th November 1990Hαflare, using a PDS microdensitometer scanner and image processing software MIDAS. The resulting isophotal contour maps, were used to describe morphological-cum-temporal behaviour of the flare and also the kernels of the flare. Correlation of theHαflare with SXR and MW radiations were also studied.


Author(s):  
H.A. Cohen ◽  
T.W. Jeng ◽  
W. Chiu

This tutorial will discuss the methodology of low dose electron diffraction and imaging of crystalline biological objects, the problems of data interpretation for two-dimensional projected density maps of glucose embedded protein crystals, the factors to be considered in combining tilt data from three-dimensional crystals, and finally, the prospects of achieving a high resolution three-dimensional density map of a biological crystal. This methodology will be illustrated using two proteins under investigation in our laboratory, the T4 DNA helix destabilizing protein gp32*I and the crotoxin complex crystal.


Author(s):  
B. Ralph ◽  
A.R. Jones

In all fields of microscopy there is an increasing interest in the quantification of microstructure. This interest may stem from a desire to establish quality control parameters or may have a more fundamental requirement involving the derivation of parameters which partially or completely define the three dimensional nature of the microstructure. This latter categorey of study may arise from an interest in the evolution of microstructure or from a desire to generate detailed property/microstructure relationships. In the more fundamental studies some convolution of two-dimensional data into the third dimension (stereological analysis) will be necessary.In some cases the two-dimensional data may be acquired relatively easily without recourse to automatic data collection and further, it may prove possible to perform the data reduction and analysis relatively easily. In such cases the only recourse to machines may well be in establishing the statistical confidence of the resultant data. Such relatively straightforward studies tend to result from acquiring data on the whole assemblage of features making up the microstructure. In this field data mode, when parameters such as phase volume fraction, mean size etc. are sought, the main case for resorting to automation is in order to perform repetitive analyses since each analysis is relatively easily performed.


Author(s):  
J. A. Korbonski ◽  
L. E. Murr

Comparison of recovery rates in materials deformed by a unidimensional and two dimensional strains at strain rates in excess of 104 sec.−1 was performed on AISI 304 Stainless Steel. A number of unidirectionally strained foil samples were deformed by shock waves at graduated pressure levels as described by Murr and Grace. The two dimensionally strained foil samples were obtained from radially expanded cylinders by a constant shock pressure pulse and graduated strain as described by Foitz, et al.


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