On the basis of first-principles calculations, we report the design of three twodimensional (2D) binary honeycomb-kagome polymers composed of B-and N-centered heterotriangulenes with a periodically alternate arrangement as in hexagonal boron nitride. The 2D binary polymers with donor−acceptor characteristics are semiconductors with a direct band gap of 1.98−2.28 eV. The enhanced in-plane electron conjugation contributes to high charge carrier mobilities for both electrons and holes, about 6.70 and 0.24 × 10 3 cm 2 V −1 s −1 , respectively, for the 2D binary polymer with carbonyl bridges (2D CTPAB). With appropriate band edge alignment to match the water redox potentials and pronounced light adsorption for the ultraviolet and visible range of spectra, 2D CTPAB is predicted to be an effective photocatalyst/photoelectrocatalyst to promote overall water splitting.
Two dimensional (2D) conjugated metal organic frameworks (MOFs) which feature single atom catalysts are promising electrocatalysts to promote oxygen reduction reaction (ORR). Here, by means of density functional theory calculations...
Photodetectors
and sensors have a prominent role in our lives and
cover a wide range of applications, including intelligent systems
and the detection of harmful and toxic elements. Although there have
been several studies in this direction, their practical applications
have been hindered by slow response and low responsiveness. To overcome
these problems, we have presented here a self-powered (photoelectrochemical,
PEC), ultrasensitive, and ultrafast photodetector platform. For this
purpose, a novel few-layered palladium–phosphorus–sulfur
(PdPS) was fabricated by shear exfoliation for effective photodetection
as a practical assessment. The characterization of this self-powered
broadband photodetector demonstrated superior responsivity and specific
detectivity in the order of 33 mA W–1 and 9.87 ×
1010 cm Hz1/2 W–1, respectively.
The PEC photodetector also exhibits a broadband photodetection capability
ranging from UV to IR spectrum, with the ultrafast response (∼40
ms) and recovery time (∼50 ms). In addition, the novel few-layered
PdPS showed superior sensing ability to organic vapors with ultrafast
response and a recovery time of less than 1 s. Finally, the photocatalytic
activity in the form of hydrogen evolution reaction was explored due
to the suitable band alignment and pronounced light absorption capability.
The self-powered sensing platforms and superior catalytic activity
will pave the way for practical applications in efficient future devices.
By performing first-principles calculations, we propose
to introduce
acetylenyl (−CC−) into the honeycomb kagome
lattices of heterotriangulenes (HT)-based two-dimensional (2D) polymers
to construct 2D HT-polyynes with tunable electronic and optical properties
for photocatalysis. It is found that the band gap can be effectively
reduced to a moderate value of around 2.00 eV by increasing the number
of −CC– (n = 1, 2, 3) in the
skeletons, contributing to enhanced light-harvesting ability in the
visible range of the spectrum. Interestingly, the band edges of 2D
HT-polyynes shift upward after incorporating with −CC–
and then shift downward when the number of incorporated −CC–
increases from 1 to 2 and 3. Possessing moderate band gap and matching
band-edge alignments, high carrier mobility, and pronounced light-harvesting
capability, the designed 2D HT-polyynes are predicted to be potential
candidates for photocatalytic hydrogen production.
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