Controlled 2H/1T Phase Transition in MoS2 Monolayer by Strong Interface with M2C MXene: A Computational Study

2021 ◽  
Author(s):  
Zhongxu Wang ◽  
Yu Liu ◽  
Fengyu Li ◽  
Jing-Xiang Zhao
Keyword(s):  
Phase Transition ◽  
Active Sites ◽  
Computational Study ◽  
Molybdenum Sulfide ◽  
High Conductivity ◽  
Two Dimensional ◽  
Mos2 Monolayer ◽  
Potential Applications

Due to the high conductivity and abundant active sites, the metallic 1T phase of two-dimensional molybdenum sulfide monolayer (1T-MoS2) has witnessed a broad range of potential applications in catalysis, spintronic,...

Design strategies of two-dimensional metal-organic frameworks toward efficient electrocatalysts for N2 reduction: Cooperativity of transition metals and organic linkers

Nanoscale ◽  
2021 ◽  
Author(s):  
Ran Wang ◽  
Chaozheng He ◽  
Weixing Chen ◽  
Ling Fu ◽  
Chenxu Zhao ◽  
...  
Keyword(s):  
Transition Metals ◽  
Active Sites ◽  
Metal Organic Frameworks ◽  
High Conductivity ◽  
Two Dimensional ◽  
Design Strategies ◽  
Metal Organic

Two-dimensional (2D) metal-organic frameworks (MOFs) serve as emerging electrocatalysts due to high conductivity, chemical tunability, and accessibility of active sites. We herein proposed a series of 2D MOFs with different...

Atomic-scale dynamics of the phase transition in bilayer PtSe2

2021 ◽  
Vol 9 (15) ◽  
pp. 5261-5266
Author(s):  
Lei Xu ◽  
Lifen Wang ◽  
Huan Liu ◽  
Feng Li ◽  
Delong Li ◽  
...  
Keyword(s):  
Phase Transition ◽  
Physical Properties ◽  
2D Materials ◽  
Atomic Scale ◽  
Two Dimensional ◽  
Potential Applications

Understanding the mechanism of phase transition is of great importance for modulating the physical properties and realizing the potential applications of two-dimensional (2D) materials.

Dual-atom active sites embedded in two-dimensional C2N for efficient CO2 electroreduction: A computational study

2021 ◽  
Vol 61 ◽  
pp. 507-516
Author(s):  
Haimei Liu ◽  
Qingliang Huang ◽  
Wei An ◽  
Yuanqiang Wang ◽  
Yong Men ◽  
...  
Keyword(s):  
Active Sites ◽  
Computational Study ◽  
Two Dimensional ◽  
Co2 Electroreduction ◽  
Dual Atom

Microstructure of laser-irradiated, conducting Kapton polyimide

1995 ◽  
Vol 53 ◽  
pp. 502-503
Author(s):  
D. L. Callahan ◽  
Z. Ball ◽  
H. M. Phillips ◽  
R. Sauerbrey
Keyword(s):  
Electron Microscopy ◽  
Phase Transition ◽  
Transmission Electron Microscopy ◽  
Cross Section ◽  
Film Surface ◽  
Cross Sectional ◽  
General Utility ◽  
Transmission Electron ◽  
Considerable Debate ◽  
Potential Applications

Ultraviolet laser-irradiation can be used to induce an insulator-to-conductor phase transition on the surface of Kapton polyimide. Such structures have potential applications as resistors or conductors for VLSI applications as well as general utility electrodes. Although the percolative nature of the phase transformation has been well-established, there has been little definitive work on the mechanism or extent of transformation. In particular, there has been considerable debate about whether or not the transition is primarily photothermal in nature, as we propose, or photochemical. In this study, cross-sectional optical microscopy and transmission electron microscopy are utilized to characterize the nature of microstructural changes associated with the laser-induced pyrolysis of polyimide.Laser-modified polyimide samples initially 12 μm thick were prepared in cross-section by standard ultramicrotomy. Resulting contraction in parallel to the film surface has led to distortions in apparent magnification. The scale bars shown are calibrated for the direction normal to the film surface only.

COMPUTATIONAL STUDY OF THE NON-ISOTHERMAL TWO-DIMENSIONAL PULSED FLOW OVER A CHANNEL WITH A BACKWARD-FACING STEP

2019 ◽  
Author(s):  
Gabriel Machado dos Santos ◽  
Ítalo Augusto Magalhães de Ávila ◽  
Hélio Ribeiro Neto ◽  
Aristeu Silveira Neto
Keyword(s):  
Computational Study ◽  
Two Dimensional ◽  
Backward Facing Step ◽  
Pulsed Flow

Temperature Effect on the Two-Dimensional Phase Transition Kinetics of Adenine Adsorbed at the Hg Electrode/Aqueous Solution Interface

2003 ◽  
Vol 68 (8) ◽  
pp. 1407-1419 ◽  
Author(s):  
Claudio Fontanesi ◽  
Roberto Andreoli ◽  
Luca Benedetti ◽  
Roberto Giovanardi ◽  
Paolo Ferrarini
Keyword(s):  
Phase Transition ◽  
Aqueous Solution ◽  
Phase Change ◽  
Temperature Effect ◽  
Transition Rate ◽  
Effect Of Temperature ◽  
Two Dimensional ◽  
Solution Interface ◽  
Phase Transition Kinetics ◽  
Kinetics Of

The kinetics of the liquid-like → solid-like 2D phase transition of adenine adsorbed at the Hg/aqueous solution interface is studied. Attention is focused on the effect of temperature on the rate of phase change; an increase in temperature is found to cause a decrease of transition rate.

Wake Flow of Single and Multiple Yawed Cylinders

2004 ◽  
Vol 126 (5) ◽  
pp. 861-870 ◽  
Author(s):  
A. Thakur ◽  
X. Liu ◽  
J. S. Marshall
Keyword(s):  
Computational Study ◽  
Three Dimensional ◽  
Side Wall ◽  
Wake Flow ◽  
Upstream Region ◽  
Two Dimensional ◽  
Cylinder Wake ◽  
Dimensional Approximation ◽  
The Face ◽  
Drag And Lift

An experimental and computational study is performed of the wake flow behind a single yawed cylinder and a pair of parallel yawed cylinders placed in tandem. The experiments are performed for a yawed cylinder and a pair of yawed cylinders towed in a tank. Laser-induced fluorescence is used for flow visualization and particle-image velocimetry is used for quantitative velocity and vorticity measurement. Computations are performed using a second-order accurate block-structured finite-volume method with periodic boundary conditions along the cylinder axis. Results are applied to assess the applicability of a quasi-two-dimensional approximation, which assumes that the flow field is the same for any slice of the flow over the cylinder cross section. For a single cylinder, it is found that the cylinder wake vortices approach a quasi-two-dimensional state away from the cylinder upstream end for all cases examined (in which the cylinder yaw angle covers the range 0⩽ϕ⩽60°). Within the upstream region, the vortex orientation is found to be influenced by the tank side-wall boundary condition relative to the cylinder. For the case of two parallel yawed cylinders, vortices shed from the upstream cylinder are found to remain nearly quasi-two-dimensional as they are advected back and reach within about a cylinder diameter from the face of the downstream cylinder. As the vortices advect closer to the cylinder, the vortex cores become highly deformed and wrap around the downstream cylinder face. Three-dimensional perturbations of the upstream vortices are amplified as the vortices impact upon the downstream cylinder, such that during the final stages of vortex impact the quasi-two-dimensional nature of the flow breaks down and the vorticity field for the impacting vortices acquire significant three-dimensional perturbations. Quasi-two-dimensional and fully three-dimensional computational results are compared to assess the accuracy of the quasi-two-dimensional approximation in prediction of drag and lift coefficients of the cylinders.

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