Chemical strategies in molybdenum based chalcogenides nanostructures for photocatalysis
Since the last two decades, plenty of environmental issues have risen up due to the damage
which humans have caused to the planet for the sake of development. The continual …
which humans have caused to the planet for the sake of development. The continual …
Molybdenum diselenide (MoSe2) for energy storage, catalysis, and optoelectronics
A Eftekhari - Applied Materials Today, 2017 - Elsevier
MoSe 2 is an engaging member of the family of transition metal dichalcogenides (TMDCs),
which has recently gained considerable attention for various applications in electrochemical …
which has recently gained considerable attention for various applications in electrochemical …
Improved description of the structure of molecular and layered crystals: ab initio DFT calculations with van der Waals corrections
The implementation of technique for full structural optimizations of complex periodic systems
in the DFT-PAW package VASP, including the volume and shape of the unit cell and the …
in the DFT-PAW package VASP, including the volume and shape of the unit cell and the …
Pressure-induced semiconducting to metallic transition in multilayered molybdenum disulphide
Molybdenum disulphide is a layered transition metal dichalcogenide that has recently raised
considerable interest due to its unique semiconducting and opto-electronic properties …
considerable interest due to its unique semiconducting and opto-electronic properties …
CHARMM-GUI nanomaterial modeler for modeling and simulation of nanomaterial systems
Molecular modeling and simulation are invaluable tools for nanoscience that predict
mechanical, physicochemical, and thermodynamic properties of nanomaterials and provide …
mechanical, physicochemical, and thermodynamic properties of nanomaterials and provide …
Recent progress of TMD nanomaterials: phase transitions and applications
HH Huang, X Fan, DJ Singh, WT Zheng - Nanoscale, 2020 - pubs.rsc.org
Transition metal dichalcogenides (TMDs) show wide ranges of electronic properties ranging
from semiconducting, semi-metallic to metallic due to their remarkable structural differences …
from semiconducting, semi-metallic to metallic due to their remarkable structural differences …
Thermal conductivity of monolayer MoS 2, MoSe 2, and WS 2: interplay of mass effect, interatomic bonding and anharmonicity
Phonons are essential for understanding the thermal properties in monolayer transition
metal dichalcogenides. We investigate the lattice dynamics and thermodynamic properties …
metal dichalcogenides. We investigate the lattice dynamics and thermodynamic properties …
Tkatchenko-Scheffler van der Waals correction method with and without self-consistent screening applied to solids
The method proposed by Tkatchenko and Scheffler [Phys. Rev. Lett. 102, 073005 (2009)
PRLTAO 0031-9007 10.1103/PhysRevLett. 102.073005] to correct density functional …
PRLTAO 0031-9007 10.1103/PhysRevLett. 102.073005] to correct density functional …
Pressure-induced metallization of molybdenum disulfide
ZH Chi, XM Zhao, H Zhang, AF Goncharov… - Physical review …, 2014 - APS
X-ray diffraction, Raman spectroscopy, and electrical conductivity measurements of
molybdenum disulfide MoS 2 are performed at pressures up to 81 GPa in diamond anvil …
molybdenum disulfide MoS 2 are performed at pressures up to 81 GPa in diamond anvil …
Pressure induced metallization with absence of structural transition in layered molybdenum diselenide
Layered transition-metal dichalcogenides have emerged as exciting material systems with
atomically thin geometries and unique electronic properties. Pressure is a powerful tool for …
atomically thin geometries and unique electronic properties. Pressure is a powerful tool for …