Room temperature sodium-sulfur (RT Na-S) batteries show extraordinary potential in large-scale energy storage. MXenes have been demonstrated to be promising sulfur hosts for Na-S batteries, and their surface functional groups...
MXene, a still-growing large family of two-dimensional (2D) materials, has aroused enormous attention in the scientific community. Owing to their high specific surface area, good electronic conductivity, stability, and hydrophilicity, MXene has found a wide application involving electromagnetic interference shielding, sensors, catalysis, and energy storage, etc. In the field of energy storage, MXenes are promising electrode materials for various metal-ion batteries and they are also effective anchoring materials for Li−S batteries. One of the most unique features of MXene is its abundant compositions, which renders us large room to modulate its properties. Besides, other effective approaches applicable to traditional 2D materials can also be used to optimize the performance of MXene. Theoretical calculations have played a significant role in predicting and screening high-performance MXene based electrode materials. So far, theoretical researchers have made much progress in optimizing the performance of MXene as electrode materials for various rechargeable batteries. In the present review, started by a brief introduction of the involved mechanism and basic calculation methods, we comprehensively overview the latest theoretical studies of modulating the performance of MXene based electrode materials for rechargeable batteries.
Strain engineering is an effective strategy to tune the catalytic performance of the catalyst. Herein, the strain effects on the catalytic performance of Pt-doped Ti2CF2 (Pt-VF-Ti2CF2) for oxygen reduction reaction...
Solid-state nanopore sequencing is now confronted with
problems
of stochastic pore clogging and too fast speed during the DNA permeation
through a nanopore, although this technique is revolutionary with
long readability and high efficiency. These two problems are related
to controlling molecular transportation during sequencing. To control
the DNA motion and identify the four bases, we propose nanoslit sensing
based on the planar heterostructure of two-dimensional graphene and
hexagonal boron nitride. Molecular dynamics simulations are performed
on investigating the motion of DNA molecules on the heterostructure
with a nanoslit sensor. Results show that the DNA molecules are confined
within the hexagonal boron nitride (HBN) domain of the heterostructure.
And the confinement effects of the heterostructure can be optimized
by tailoring the stripe length. Besides, there are two ways of DNA
permeation through nanoslits: the DNA can cross or translocate the
nanoslit under applied voltages along the y and z directions. The two detection modes are named cross-slit
and trans-slit, respectively. In both modes, the ionic current drops
can be observed when the nanoslit is occupied by the DNA. And the
ionic currents and dwell times can be simultaneously detected to identify
the four different DNA bases. This study can shed light on the sensing
mechanism based on the nanoslit sensor of a planar heterostructure
and provide theoretical guidance on designing devices controlling
molecular transportation during nanopore sequencing.
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