Defect Induced Performance Enhancement of Monolayer MoS2 for Li- and Na-Ion Batteries
G Barik, S Pal - The Journal of Physical Chemistry C, 2019 - ACS Publications
Dexterity in the application of defect engineering implicates modification in the physical
properties of two-dimensional (2D) transition metal dichalcogenides (TMDs) to enhance …
properties of two-dimensional (2D) transition metal dichalcogenides (TMDs) to enhance …
Au cluster adsorption on perfect and defective MoS 2 monolayers: structural and electronic properties
W Ju, T Li, X Su, H Li, X Li, D Ma - Physical Chemistry Chemical …, 2017 - pubs.rsc.org
The adsorption of Aun (n= 1–4) clusters on perfect and defective MoS2 monolayers is
studied using density functional theory. For the pristine MoS2 monolayer, our results show …
studied using density functional theory. For the pristine MoS2 monolayer, our results show …
Adsorption of small inorganic molecules on a defective MoS 2 monolayer
We present a theoretical study of molecular adsorption on defects on a MoS2 monolayer.
Based on Density Functional Theory, our calculations confirm that small inorganic …
Based on Density Functional Theory, our calculations confirm that small inorganic …
Instability of vibrational modes in hexagonal lattice
EA Korznikova, DV Bachurin, SY Fomin… - The European Physical …, 2017 - Springer
The phenomenon of modulational instability is investigated for all four delocalized short-
wave vibrational modes recently found for the two-dimensional hexagonal lattice with the …
wave vibrational modes recently found for the two-dimensional hexagonal lattice with the …
Structures and Magnetic Properties of MoS2 Grain Boundaries with Antisite Defects
Monolayer molybdenum disulfide (MoS2), a two-dimensional semiconductor, possesses
extraordinary physical properties and holds great promise for electronics, optoelectronics …
extraordinary physical properties and holds great promise for electronics, optoelectronics …
Energy transfer in strained graphene assisted by discrete breathers excited by external ac driving
In the present molecular-dynamics study, external ac driving is used at frequencies outside
the phonon spectrum to excite gap DBs in uniformly strained graphene nanoribbon …
the phonon spectrum to excite gap DBs in uniformly strained graphene nanoribbon …
Microscopic and atomistic mechanisms of sliding friction of MoS2: Effects of undissociated and dissociated H2O
Molybdenum disulfide (MoS 2) displays low coefficient of friction (COF) in vacuum and under
inert atmospheres, but a higher COF occurs under humid atmospheres. A significant aspect …
inert atmospheres, but a higher COF occurs under humid atmospheres. A significant aspect …
Degradation behaviors and mechanisms of MoS2 crystals relevant to bioabsorbable electronics
Monolayer molybdenum disulfide (MoS2) exhibits unique semiconducting and bioresorption
properties, giving this material enormous potential for electronic/biomedical applications …
properties, giving this material enormous potential for electronic/biomedical applications …
The role of the intrinsic Se and In vacancies in the interaction of O2 and H2O molecules with the InSe monolayer
Based on first-principle calculations, the effects of the intrinsic point defects, including single
Se vacancy and single In vacancy, on the interaction of O 2 and H 2 O molecules with the …
Se vacancy and single In vacancy, on the interaction of O 2 and H 2 O molecules with the …
Structural, electronic, and magnetic characteristics of graphitic carbon nitride nanoribbons and their applications in spintronics
MR Rezapour - The Journal of Physical Chemistry C, 2022 - ACS Publications
The development of quantum information and quantum computing technology requires
special materials to design and manufacture nanosized spintronic devices. Possessing …
special materials to design and manufacture nanosized spintronic devices. Possessing …