The adhesion of various sizes of Pt clusters on the metallic (5,5) carbon nanotubes (CNTs) with and without the point defect has been investigated by means of density functional theory (DFT). The calculations show that the binding energies of Pt
n
(n = 1−6) clusters on the defect free CNTs are more than 2.0 eV. However, the binding energies are increased more than three times on the point defective CNTs. The dramatic increase of the binding energy has been further explained by the partial density of states, deformation charge density, and two population analyses methods (Mulliken and Hirshfeld). The stronger orbital hybridization between the Pt atom and the carbon atom shows larger charge transfers on the defective CNTs than on the defect free CNTs, which allows the strong interaction between Pt clusters and CNTs. On the basis of DFT calculations, CNTs with point defect can be used as the catalyst supports for noble metal nanoparticles adhesion, which can be applied to a series of catalytic reactions, such as fuel cell, hydrogenation, etc.
To find an effective strategy for the capture and decomposition of nitrous oxide (N(2)O) is very important in order to protect the ozone layer and control the effects of global warming. Based on first-principles calculations, such a strategy is proposed by the systemic study of N(2)O interaction with pristine and Al (or Ga)-doped graphene, and N(2)O dissociation on the surface of Al (or Ga)-doped graphene in an applied electric field. The calculated adsorption energy value shows the N(2)O molecule more firmly adsorbs on the surface of Al (or Ga)-doped graphene than that of pristine graphene, deriving from a stronger covalent bond between the N(2)O molecule and the Al (or Ga) atom. Furthermore, our study suggests that N(2)O molecules can be easily decomposed to N(2) and O(2) with the appropriate electric field, which reveals that Al-doped graphene may be a new candidate for control of N(2)O.
The presence of cuprous oxide results in band bending at the interface between cuprous phosphide and cuprous oxide, forming carrier traps, which improves the fluorescence properties of cuprous phosphide.
Transient
conductors are one of the most important components in
transient electronics, which attract great attention because of their
environment-friendly and biocompatible characters. To meet the requirement
for wearable electronics, good stretchability and mechanical durability
are needed for the transient conductors. However, it remains challenging
to achieve stretchability and transient behavior simultaneously because
of a lack of the proper elastomer. Herein, we demonstrate the first
highly stretchable and transient conductor from a composite material
of Ag flakes and gelatin hydrogel. It shows a maximum stretchability
of more than 100% with minimal resistance increase and a good cyclic
durability of 1000 cycles of deformation at 20%. The above mentioned
good mechanical properties come from the rational design of the conductor
with a seamless interface between the hydrogel and Ag flakes. When
the conductor is immersed in water at 60 °C, it can be quickly
dissolved within 90 s, and the transient behavior can be controlled
by tuning the content of the hydrogel in the conductors and dissolving
temperature. These properties make the conductor a good wiring candidate
for stretchable and transient electronics.
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