Computational study of phononic resonators and waveguides in monolayer transition metal dichalcogenides

2017 ◽  
Vol 19 (11) ◽  
pp. 8082-8090 ◽  
Author(s):  
A. Konstantopoulou ◽  
A. P. Sgouros ◽  
M. M. Sigalas
Keyword(s):  
Molecular Dynamics ◽  
Transition Metal ◽  
Large Scale ◽  
Computational Study ◽  
Transition Metal Dichalcogenides ◽  
Scale Transition ◽  
Empirical Potentials ◽  
Metal Dichalcogenides ◽  
Semi Empirical

Using molecular dynamics and semi-empirical potentials, large scale transition metal dichalcogenides monolayers (TMDM) were examined.

scholarly journals Synthesis of Large-Scale Transition Metal Dichalcogenides for Their Commercialization

2020 ◽  
Vol 29 (6) ◽  
pp. 133-142
Author(s):  
Seoung-Woong Park ◽  
Yong Jun Jo ◽  
Sukang Bae ◽  
Byung Hee Hong ◽  
Seoung-Ki Lee
Keyword(s):  
Transition Metal ◽  
Large Scale ◽  
Transition Metal Dichalcogenides ◽  
Scale Transition ◽  
Metal Dichalcogenides

scholarly journals Synthesis of Millimeter-Scale Transition Metal Dichalcogenides Single Crystals

2016 ◽  
Vol 26 (12) ◽  
pp. 2009-2015 ◽  
Author(s):  
Yongji Gong ◽  
Gonglan Ye ◽  
Sidong Lei ◽  
Gang Shi ◽  
Yongmin He ◽  
...  
Keyword(s):  
Transition Metal ◽  
Single Crystals ◽  
Transition Metal Dichalcogenides ◽  
Scale Transition ◽  
Metal Dichalcogenides

ALD-Based Synthesis of Wafer-Scale Transition Metal Dichalcogenides Towards Nanoelectronics and Optoelectronics Applications

2020 ◽  
Vol MA2020-02 (29) ◽  
pp. 1964-1964
Author(s):  
Hao Zhu ◽  
Hao Liu ◽  
Yang Wang ◽  
Zhenghao Gu ◽  
Kai Zhang ◽  
...  
Keyword(s):  
Transition Metal ◽  
Transition Metal Dichalcogenides ◽  
Wafer Scale ◽  
Scale Transition ◽  
Metal Dichalcogenides

Terahertz photodetector arrays based on a large scale MoSe2 monolayer

2016 ◽  
Vol 4 (40) ◽  
pp. 9399-9404 ◽  
Author(s):  
Huiqiang Liu ◽  
Zuxin Chen ◽  
Xuechen Chen ◽  
Sheng Chu ◽  
Jingwen Huang ◽  
...  
Keyword(s):  
Transition Metal ◽  
Large Scale ◽  
Transition Metal Dichalcogenides ◽  
Metal Dichalcogenides ◽  
Photodetector Arrays ◽  
Large Domains

Large domains of monolayered transition-metal dichalcogenides (TMDCs) have emerged as exciting materials because of their potential to provide a platform for ultrathin circuits and optoelectronics systems.

scholarly journals Computational Study of the Curvature-Promoted Anchoring of Transition Metals for Water Splitting

Nanomaterials ◽  
2021 ◽  
Vol 11 (12) ◽  
pp. 3173
Author(s):  
Weiwei Liu ◽  
Youchao Kong ◽  
Bo Wang ◽  
Xiaoshuang Li ◽  
Pengfei Liu ◽  
...  
Keyword(s):  
Transition Metal ◽  
Water Splitting ◽  
Computational Study ◽  
Transition Metal Dichalcogenides ◽  
Single Atom ◽  
Potential Candidate ◽  
Practical Applications ◽  
Small Areas ◽  
Transition Metal Atoms ◽  
Metal Dichalcogenides

Generating clean and sustainable hydrogen from water splitting processes represent a practical alternative to solve the energy crisis. Ultrathin two-dimensional materials exhibit attractive properties as catalysts for hydrogen production owing to their large surface-to-volume ratios and effective chemisorption sites. However, the catalytically inactive surfaces of the transition metal dichalcogenides (TMD) possess merely small areas of active chemical sites on the edge, thus decreasing their possibilities for practical applications. Here, we propose a new class of out-of-plane deformed TMD (cTMD) monolayer to anchor transition metal atoms for the activation of the inert surface. The calculated adsorption energy of metals (e.g., Pt) on curved MoS2 (cMoS2) can be greatly decreased by 72% via adding external compressions, compared to the basal plane. The enlarged diffusion barrier energy indicates that cMoS2 with an enhanced fixation of metals could be a potential candidate as a single atom catalyst (SAC). We made a well-rounded assessment of the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER), which are two key processes in water splitting. The optimized Gibbs free energy of 0.02 for HER and low overpotential of 0.40 V for OER can be achieved when the proper compression and supported metals are selected. Our computational results provide inspiration and guidance towards the experimental design of TMD-based SACs.

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