Rational Defect Engineering via Calcium Doping for High-Efficiency Monolayer MoS<sub>2</sub> Emission. [PDF]
Chen Y +9 more
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CuS-MoS<sub>2</sub> nanosheet-catalyzed selective oxidative azo-coupling of anilines. [PDF]
Kumar D +5 more
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Hierarchical exfoliated MoS<sub>2</sub>@Ti<sub>3</sub>C<sub>2</sub>T <sub><i>x</i></sub> @α-Ni(OH)<sub>2</sub> as a highly efficient electrocatalyst for water splitting in acidic medium: experimental and DFT investigations. [PDF]
Upar DA +5 more
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Abstract Comparisons of magnetic behavior of pristine single crystal-MoS2 (MoS2-SC), nanoparticle-MoS2 (MoS2-NP) and two-dimensional (2D) bi-layer-MoS2 thin film were investigated by the M-H hysteresis loops measured at 300 K, using the superconducting quantum interface device-type magnetometer.
Sweety Sarma, Sekhar Chandra Ray
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Superior electrochemical properties of MoS2 powders with a MoS2@void@MoS2 configuration
Nanoscale, 2014Yolk-shell MoS2 powders with a distinct configuration of MoS2@void@MoS2 were prepared for the first time by applying spray pyrolysis. The yolk-shell MoO3 powders prepared by spray pyrolysis were converted into MoS2 powders by a simple sulfidation process at 400 °C without altering the morphology.
Ko, YN Ko, You Na +2 more
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First principles prediction on the interfaces of Fe/MoS2, Co/MoS2 and Fe3O4/MoS2
Computational Materials Science, 2015Abstract We investigated the magnetic and electronic properties of Fe/MoS 2 , Co/MoS 2 and Fe 3 O 4 /MoS 2 superlattices by first-principles calculations. Different structural models are considered as (a) Fe–S, (b–d) Co–S, (e–g) Fe(A)–S, (h–j) Fe(B)–S, and (k–m) O–S.
M.Y. Yin, X.C. Wang, W.B. Mi, B.H. Yang
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Tunable MoS2 bandgap in MoS2-graphene heterostructures
Applied Physics Letters, 2014Using density functional theory calculations with van der Waals corrections, we investigated how the interlayer orientation affects the structure and electronic properties of MoS2-graphene bilayer heterostructures. Changing the orientation of graphene with respect to MoS2 strongly influences the type and the value of the electronic bandgap in MoS2 ...
Abbas Ebnonnasir +3 more
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DFT study of MoS2 and hydrogen adsorbed on the (101̄0) face of MoS2
Physical Chemistry Chemical Physics, 2001DFT calculations were employed to investigate the properties of the catalytically important (1010) edge of MoS2 and the adsorption of hydrogen thereon. The electronic properties of the bulk and surface as well as the relaxed positions of surface atoms are calculated by two different techniques, namely all-electron and plane wave pseudo-potential DFT ...
Alexiev, V., Prins, R., Weber, T.
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Optoelectronic properties of MoS2-ReS2 and ReS2-MoS2 heterostructures
Physica B: Condensed Matter, 2020Abstract We have investigated the electronic properties of heterostructures MoS2-ReS2 and ReS2-MoS2 with hybrid density functional theory. Contrary to the reported work, we found that ReS2 is an indirect band gap semiconductor material in the 2H phase, in good agreement with experimental work.
Muhammad Saeed +9 more
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