scholarly journals Predicting stable phase monolayer Mo2C (MXene), a superconductor with chemically-tunable critical temperature

2017 ◽  
Vol 5 (14) ◽  
pp. 3438-3444 ◽  
Author(s):  
Jincheng Lei ◽  
Alex Kutana ◽  
Boris I. Yakobson
Keyword(s):  
Critical Temperature ◽  
Molybdenum Carbide ◽  
Stable Phase ◽  
Two Dimensional ◽  
Surface Termination

Two-dimensional molybdenum carbide (Mo2C) MXene is predicted to be a superconductor with the critical temperature tunable by surface termination.

scholarly journals Two-dimensional molybdenum carbide 2D-Mo2C as a superior catalyst for CO2 hydrogenation

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Hui Zhou ◽  
Zixuan Chen ◽  
Evgenia Kountoupi ◽  
Athanasia Tsoukalou ◽  
Paula M. Abdala ◽  
...  
Keyword(s):  
Molybdenum Carbide ◽  
Surface Coverage ◽  
Co2 Hydrogenation ◽  
Two Dimensional ◽  
Product Selectivity ◽  
Metal Carbides ◽  
Surface Termination ◽  
Transitional Metal ◽  
Pretreatment Conditions ◽  
Hydrogenation Of Co

AbstractEarly transitional metal carbides are promising catalysts for hydrogenation of CO2. Here, a two-dimensional (2D) multilayered 2D-Mo2C material is prepared from Mo2CTx of the MXene family. Surface termination groups Tx (O, OH, and F) are reductively de-functionalized in Mo2CTx (500 °C, pure H2) avoiding the formation of a 3D carbide structure. CO2 hydrogenation studies show that the activity and product selectivity (CO, CH4, C2–C5 alkanes, methanol, and dimethyl ether) of Mo2CTx and 2D-Mo2C are controlled by the surface coverage of Tx groups that are tunable by the H2 pretreatment conditions. 2D-Mo2C contains no Tx groups and outperforms Mo2CTx, β-Mo2C, or the industrial Cu-ZnO-Al2O3 catalyst in CO2 hydrogenation (evaluated by CO weight time yield at 430 °C and 1 bar). We show that the lack of surface termination groups drives the selectivity and activity of Mo-terminated carbidic surfaces in CO2 hydrogenation.

Two dimensional CrGa2Se4: A spin-gapless ferromagnetic semiconductor with inclined uniaxial anisotropy

Nanoscale ◽  
2021 ◽  
Author(s):  
Qian Chen ◽  
Ruqian Wang ◽  
Zhaocong Huang ◽  
Shijun Yuan ◽  
Haowei Wang ◽  
...  
Keyword(s):  
Critical Temperature ◽  
Material Science ◽  
2D Materials ◽  
Uniaxial Anisotropy ◽  
Magnetic Semiconductor ◽  
Ferromagnetic Semiconductor ◽  
Two Dimensional ◽  
High Critical Temperature

The magnetic semiconductor with high critical temperature has long been the focus in material science and recently is also known as one of the fundamental questions in two-dimensional (2D) materials....

scholarly journals Optimal Superconducting Critical Temperature in the Two-Dimensional Attractive Hubbard Model

1991 ◽  
Vol 16 (5) ◽  
pp. 509-509 ◽  
Author(s):  
P. J. H Denteneer ◽  
Guozhong An ◽  
J. M. J. van Leeuwen
Keyword(s):  
Critical Temperature ◽  
Hubbard Model ◽  
Two Dimensional ◽  
Attractive Hubbard Model

scholarly journals Prediction of the structural and electronic properties of MoxTi1−xS2 monolayers via first principle simulations

2020 ◽  
Vol 10 ◽  
pp. 184798042095509
Author(s):  
Ankit Kumar Verma ◽  
Federico Raffone ◽  
Giancarlo Cicero
Keyword(s):  
Transition Metal ◽  
Electronic Properties ◽  
Transition Metal Dichalcogenides ◽  
Stable Phase ◽  
Two Dimensional ◽  
Electron Hole ◽  
Effective Electron ◽  
Wide Range ◽  
Structural And Electronic Properties ◽  
Metal Dichalcogenides

Two-dimensional transition metal dichalcogenides have gained great attention because of their peculiar physical properties that make them interesting for a wide range of applications. Lately, alloying between different transition metal dichalcogenides has been proposed as an approach to control two-dimensional phase stability and to obtain compounds with tailored characteristics. In this theoretical study, we predict the phase diagram and the electronic properties of Mo xTi1− xS2 at varying stoichiometry and show how the material is metallic, when titanium is the predominant species, while it behaves as a p-doped semiconductor, when approaching pure MoS2 composition. Correspondingly, the thermodynamically most stable phase switches from the tetragonal to the hexagonal one. Further, we present an example which shows how the proposed alloys can be used to obtain new vertical two-dimensional heterostructures achieving effective electron/hole separation.

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