Multifunctional carbon nitride nanoarchitectures for catalysis
Catalysis is at the heart of modern-day chemical and pharmaceutical industries, and there is
an urgent demand to develop metal-free, high surface area, and efficient catalysts in a …
an urgent demand to develop metal-free, high surface area, and efficient catalysts in a …
Application of two-dimensional materials as anodes for rechargeable metal-ion batteries: A comprehensive perspective from density functional theory simulations
Rechargeable lithium-ion batteries (LIBs) have been serving as one the most critical
components of fast growing technologies, such as the mobile electronic and electrified …
components of fast growing technologies, such as the mobile electronic and electrified …
Prediction of two-dimensional AlBrSe monolayer as a highly efficient photocatalytic for water splitting
S Tareq, AOM Almayyali, HR Jappor - Surfaces and Interfaces, 2022 - Elsevier
The effect of biaxial strain on the electronic and optical properties of orthorhombic two-
dimensional AlBrSe monolayer was investigated by the first-principles calculations. Stability …
dimensional AlBrSe monolayer was investigated by the first-principles calculations. Stability …
A comparative study of the electronic transport and gas-sensitive properties of Graphene+, T-graphene, Net-graphene, and biphenylene-based two-dimensional …
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The two dimensional MoSi 2 N 4 (MSN) monolayer exhibiting rich physical and chemical
properties was synthesized for the first time last year. We have used the spin-polarized …
properties was synthesized for the first time last year. We have used the spin-polarized …
A van der Waals heterostructure of MoS 2/MoSi 2 N 4: a first-principles study
Motivated by the successful preparation of MoSi2N4 monolayers in the last year [Y.-L. Hong
et al., Science, 2020, 369, 670–674], we investigate the structural, electronic and optical …
et al., Science, 2020, 369, 670–674], we investigate the structural, electronic and optical …
Effect of electric field and vertical strain on the electro-optical properties of the MoSi2N4 bilayer: A first-principles calculation
Recently, a two-dimensional (2D) MoSi 2 N 4 (MSN) structure has been successfully
synthesized [Hong et al., Science 369 (6504), 670–674 (2020)]. Motivated by this result, we …
synthesized [Hong et al., Science 369 (6504), 670–674 (2020)]. Motivated by this result, we …
Strain effects on stability, electronic and optical properties of two-dimensional C 4 X 2 (X= F, Cl, Br)
H Shu - Journal of Materials Chemistry C, 2021 - pubs.rsc.org
Employing first-principles calculations, the stabilities, electronic and optical properties of
halogenated diamane (C4X2; X= F, Cl, Br) are systematically investigated. In particular …
halogenated diamane (C4X2; X= F, Cl, Br) are systematically investigated. In particular …
Two-dimensional carbon nitride C6N nanosheet with egg-comb-like structure and electronic properties of a semimetal
In this study, the structural, electronic and optical properties of theoretically predicted C 6 N
monolayer structure are investigated by means of Density Functional Theory-based First …
monolayer structure are investigated by means of Density Functional Theory-based First …
Dielectric modulated junctionless biotube FET (DM-JL-BT-FET) bio-sensor
In this manuscript, an analytical model has been demonstrated for Dielectric Modulated
Junctionless Biotube FET (DM-JL-BT-FET) as a sensor. The Junctionless Biotube FET …
Junctionless Biotube FET (DM-JL-BT-FET) as a sensor. The Junctionless Biotube FET …