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Article
Two-dimensional Janus AsXY (X = Se, Te; Y = Br, I) monolayers for photocatalytic water splitting
Two-dimensional (2D) Janus materials exhibit great potential in photocatalytic applications for providing clean and renewable energy. Here, using the first principles calculations, we explore Janus AsXY (X = S...
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Article
High-adhesion anionic copolymer as solid-state electrolyte for dendrite-free Zn-ion battery
To conquer severe dendrites formation and side reactions of zinc metal anodes, which are serious obstacles for the practical applications of aqueous zinc ion battery (ZIB), herein, we develop a sodium allysulf...
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Article
Single machine batch scheduling with non-increasing time slot costs
This work studies batch scheduling problems in which non-increasing time slot costs are taken into consideration on a single machine. In these problems, each batch occupies some time slots, and the cost yielde...
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Article
Electronic Structure and Optical Properties of a Mn-Doped InSe/WSe2 van der Walls Heterostructure: First Principles Calculations
InSe-based van der Walls heterostructures (vdWHs) have attracted research interests recently because of their particular properties. In this work, the electronic structure and the optical properties of Mn-dope...
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Article
Spin polarization properties of two-dimensional MoSeTe induced by transition-metal do**: first-principles calculations
The electronic structure and spin polarization properties of transition-metal (TM) doped monolayer MoSeTe are studied by using the first-principles calculations based on density functional theory. The calculat...
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Article
Open AccessMagnetic Graphene Field-Effect Transistor Biosensor for Single-Strand DNA Detection
Herein, a magnetic graphene field-effect transistor biosensor was prepared through the transfer of a chemical vapor deposition graphene film onto a glass substrate to produce a sensing film and conductive chan...
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Article
Multistate magnetoresistance in zigzag-edge trigonal graphene magnetic junctions
Using density functional theory combined with nonequilibrium Green’s function method, spin-dependent transport through a zigzag-edge trigonal graphene molecule coupled with two ferromagnets was investigated. T...
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Article
Spontaneous spin polarization of methanol molecule adsorbed on B- or N-doped graphene: first-principles calculations
Methanol molecule could be spontaneously spin polarized when it is adsorbed on graphene surface with B or N atoms even there is no magnetic elements in the whole systems. The p-orbital couplings between the meth...
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Article
One pot graphene-based nanocontainers as effective anticorrosion agents in epoxy-based coatings
A novel nanocontainer using graphene oxide nanoscrolls (GONS) as shell and benzotriazole (BTA) as core is proposed and embedded in epoxy coating for the corrosion protection of carbon steel. BTA/GONS nanoconta...
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Article
Spin polarized current injection and transportation in a double T-shaped organic spintronic device
A double T-shaped device model is constructed to investigate the spin polarized current injection and transportation properties in organic semiconductors. Based on the spin diffusion theory and Ohm’s law and c...
