Engineering photocatalytic materials for renewable energy generation and environmental decontamination has always been a very exciting prospect to counter the global energy demands and pollution challenges. Graphitic carbon nitride (g-C 3 N 4 ), a polymeric, metal-free semiconductor with a mild band gap (2.7 eV) has become hot-spot in various scientific exploits such as environmental pollution mitigation, energy generation and storage, organic synthesis, sensors, etc. These applications exploit the interesting properties of g-C 3 N 4 such as good visible light absorption, graphene-like structure, good thermal and chemical stability and photocatalytic properties. In this review we begin with an overview of the fundamental aspects of photocatalysis as a pollution remediation strategy. This is followed by an introduction to graphitic carbon nitride as a photocatalyst, preparation strategies and its properties. Subsequently, a comprehensive and critical discussion of the various most recent developments towards enhancing the visible light photocatalytic properties of g-C 3 N 4 for pollution alleviation, selected results and important photocatalytic degradation mechanisms, is given. Summary remarks and future perspective conclude the review.

Graphitic carbon nitride (g-C3N4) nanocomposites: A new and exciting generation of visible light driven photocatalysts for environmental pollution remediation

Most studied two-dimensional (2D) materials exhibit isotropic behavior due to high lattice symmetry; however, lower-symmetry 2D materials such as phosphorene and other elemental 2D materials exhibit very interesting anisotropic properties. In this work, we report the atomic structure, electronic properties, and vibrational modes of few-layered PdSe2 exfoliated from bulk crystals, a pentagonal 2D layered noble transition metal dichalcogenide with a puckered morphology that is air-stable. Micro-absorption optical spectroscopy and first-principles calculations reveal a wide band gap variation in this material from 0 (bulk) to 1.3 eV (monolayer). The Raman-active vibrational modes of PdSe2 were identified using polarized Raman spectroscopy, and a strong interlayer interaction was revealed from large, thickness-dependent Raman peak shifts, agreeing with first-principles Raman simulations. Field-effect transistors made from the few-layer PdSe2 display tunable ambipolar charge carrier conduction with a high elec...

PdSe2: Pentagonal Two-Dimensional Layers with High Air Stability for Electronics.

The ever‐increasing demand for large‐scale energy storage systems requires novel battery technologies with low‐cost and sustainable properties. Due to earth‐abundance and cost effectiveness, the development of rechargeable potassium ion batteries (PIBs) has recently attracted much attention. Since carbon‐based materials are abundant, inexpensive, nontoxic, and safe, extensive feasibility investigations have suggested that they can become promising anode materials for PIBs. This review not only attempts to provide better understanding of the potassium storage mechanism, but also summarizes the availability of new carbon‐based materials and their electrochemical performance covering graphite, graphene, and hard carbon materials plus carbon‐based composites. Finally, the critical issues, challenges, and perspectives are discussed to demonstrate the developmental direction of PIBs.

Advanced Carbon-Based Anodes for Potassium-Ion Batteries

https://pure.mpg.de/pubman/item/item_3314332_3/component/file_3324953/1-s2.0-S0370157320300363-main.pdf

A perspective on conventional high-temperature superconductors at high pressure: Methods and materials

The urgent need for clean and renewable energy drives the exploration of effective strategies to produce hydrogen. Semiconductor-based photocatalytic hydrogen production technology is one of the ideal processes for direct solar energy conversion and storage that has been widely studied. The development of highly efficient photocatalysts is essential for the cost-effective and large-scale production of hydrogen. CdS-based semiconductor photocatalysts have attracted significant attention due to their unique advantages, including strong visible light absorption capacity, suitable band edge levels and excellent electronic charge transfer. However, unlike TiO2 with good photostability, the intrinsic drawback of photocorrosion of CdS-based semiconductors significantly challenges their durable application in photocatalysis. This review focuses on recent advances in material design and strategies for improving the anti-photocorrosion of CdS-based photocatalysts for applications in photocatalytic overall water splitting to produce hydrogen. Moreover, brief prospective development and challenges in the synthesis of anti-corrosion CdS-based photocatalysts are also presented.

Photocorrosion inhibition of CdS-based catalysts for photocatalytic overall water splitting

Using first-principles calculations, we investigated the photocatalytic mechanism of two-dimensional van der Waals CdS/InSe heterostructures (HSs). Our results show that the buckling distortion of a CdS monolayer sheet in the CdS/InSe HSs induces a built-in polarized electric field, which significantly changes the band edge positions of the InSe layer. The band alignment indicated that the photogenerated electrons in the conduction band (CB) of the InSe monolayer have a high possibility of recombining with the holes in the valence band (VB) of the CdS sheet, resulting in the electrons in the CB of CdS participating in a reduction reaction and the holes in the VB of InSe taking part in an oxidation reaction. This direct Z-scheme photocatalytic system can lead to spatial separation of photogenerated carriers and excellent redox ability, thus enhancing the photocatalytic efficiency. Meanwhile, CdS/InSe HSs can significantly extend the range of light harvesting from visible light to infrared light. Similar results can also be found in the CdS/InSe@2 HSs constructed by InSe bilayer deposit on a CdS nanosheet. These results indicate that CdS/InSe HSs are promising photocatalysts for water splitting.

https://iopscience.iop.org/article/10.1088/1361-6463/aad8a2/pdf

Direct Z-scheme photocatalytic overall water splitting on 2D CdS/InSe heterostructures

As a new type of quantum matter, Dirac node line (DNL) semimetals are currently attracting widespread interest in condensed matter physics and materials science The DNL, featured by a closed line consisting of linear band crossings in the momentum space, was mostly predicted in three-dimensional materials Here, we propose a tight-binding (TB) model of pz + px,y or pz + s orbitals defined on the two-dimensional (2D) Lieb lattice for the 2D version of DNL semimetals The DNL states in these models are caused by the inversion of the bands with different symmetries and thus robust against spin-orbit interaction By means of first-principles calculations, we demonstrate two candidate materials: Be2C and BeH2 monolayers, which have Fermi circles centred at Γ(0,0) and K(1/2,1/2) points, respectively Their Fermi velocities are higher than that in graphene The non-zero Z2 topological invariant accompanied by the edge states is revealed in these materials This work opens an avenue for the design of 2D DNL semimetals

Dirac node lines in two-dimensional Lieb lattices.

Photocatalytic water splitting is a new technology for the conversion and utilization of solar energy and has a potential prospect. One important aspect of enhancing the photocatalytic efficiency is how to improve the electron-hole separation. Up to now, there is still no ideal strategy to improve the electron-hole separation. In this article, for metal-free organic photocatalysts, we propose a good strategy- forming heterojunction, which can effectively improve the electron-hole separation. We provide a metal-free organic photocatalyst g-C12N7H3 for water splitting. The stability of g-C12N7H3 has been investigated, the X-ray diffraction spectra has been simulated. Using first-principles calculations, we have systematically studied the electronic structure, band edge alignment, and optical properties for the g-C12N7H3. The results demonstrated that g-C12N7H3 is a new organocatalyst material for water splitting. In order to enhance the photocatalytic efficiency, we provided four strategies, i.e., multilayer stacking, raising N atoms, forming g-C9N10/g-C12N7H3 heterojunction, and forming graphene/g-C12N7H3 heterojunction. Our research is expected to stimulate experimentalists to further study novel 2D metal-free organic materials as visible light photocatalysts. Our strategies, especially forming heterojunction, will substantially help to enhance the photocatalytic efficiency of metal-free organic photocatalyst.

/pdf/forming-heterojunction-an-effective-strategy-to-enhance-the-v7wfuagtpe.pdf

Forming heterojunction: an effective strategy to enhance the photocatalytic efficiency of a new metal-free organic photocatalyst for water splitting.

Dirac cones and highly anisotropic electronic structure of super-graphyne

Half-metals are always accompanied by ferromagnetism with undesired stray magnetic field which may be harmful in highly integrated circuits. By contrast, half-metallic antiferromagnets (HMAFMs) can achieve fully spin-polarized current without stray magnetic field, enabling spintronic filed sensing and magnetic memories. Using first-principles calculations, we demonstrated that the tantalizing HMAFM can be realized in a two-dimensional (2D) metal–organic framework (MOF) containing Co ions and octa-amino-substituted iron-porphyrazines (CoFePz). The strong p–d exchange interaction between ions and ligands leads to an antiferromagnetic ground state with metallic features in one spin direction and semiconducting features in the opposite spin direction. Monte Carlo simulations based on the Ising model on an edge-centered square lattice indicate that the Neel temperature of the CoFePz (247 K) is much higher than the temperature of liquid nitrogen. Considering the huge number of MOFs, it is expected that the pres...

Two-Dimensional Metal–Organic Half-metallic Antiferromagnet: CoFePz

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