Type-II van der Waals heterostructures of GeC, ZnO and Al2SO monolayers for promising optoelectronic and photocatalytic applications
Two-dimensional materials stacked via van der Waals (vdW) forces provide a revolutionary
route toward high-performance optoelectronic and renewable energy devices. Here, we …
route toward high-performance optoelectronic and renewable energy devices. Here, we …
Scattering of CO from Vacant-MoSe2 with O Adsorbates: Is CO2 Formed?
Using ab initio molecular dynamics (AIMD) simulations, based on density functional theory
that also accounts for van der Waals interactions, we study the oxidation of gas-phase CO …
that also accounts for van der Waals interactions, we study the oxidation of gas-phase CO …
Density functional theory study of Al-doped MoS2–O–H nanoribbons for their potentials use in dangerous gas sensing applications
J **ong, B **ong, RW Mustafa - Physica B: Condensed Matter, 2024 - Elsevier
The development of sensors depends heavily on two-dimensional materials. In this study,
we initially formed the MoS 2 (NR)-OH structure by passivating the MoS 2 nanoribbon with …
we initially formed the MoS 2 (NR)-OH structure by passivating the MoS 2 nanoribbon with …
Electrostatic potential and optoelectronic characteristics of Janus MoSSe/MX2 (M Mo, X S, Se) vdW Heterostructures with strain engineering
G Du, Q Yang, X Hu, S Ma, Y Ren, Y Xu… - Journal of Nonlinear …, 2024 - World Scientific
The modulation of electrostatic potential and optoelectronic characteristics of Janus
MoSSe/MX2 (M= Mo, X= S, Se) van der Waals (vdW) heterostructures with strain …
MoSSe/MX2 (M= Mo, X= S, Se) van der Waals (vdW) heterostructures with strain …
Adsorption and dissociation of diatomic molecules on monolayer
Two-dimensional transition-metal dichalcogenides appear as good candidates for gas
sensing and catalysis. Here, by means of density functional theory, we characterize the …
sensing and catalysis. Here, by means of density functional theory, we characterize the …
A Theoretical Study of Scattering of e± by Tl Atom
S Parvin, MM Billah, MH Khandker, MI Hossain… - Atoms, 2023 - mdpi.com
This article incorporates details of our calculations of the observable quantities for the
scattering of electrons and positrons from a post transition metal Thallium (Tl), in the energy …
scattering of electrons and positrons from a post transition metal Thallium (Tl), in the energy …