Related papers: Computational Search for Two-Dimensional Photocata…
Monolayers of semiconducting transition metal dichalcogenides (TMDs) have long attracted interest for their intriguing optical and electronic properties. Recently TMDs in their quasi-bulk form have started to show considerable promise for…
Recent progress in the synthesis and assembly of two-dimensional (2D) materials has laid the foundation for various applications of atomically thin layer films. These 2D materials possess rich and diverse properties such as layer-dependent…
Two-dimensional (2D) InSe and WS$_2$ exhibit promising characteristics for optoelectronic and photoelectrochemical applications, e.g. photodetection and photocatalytic water splitting. However, both of them have poor absorption of visible…
Two-dimensional (2D) topological superconductors are highly desired because they not only offer opportunities for exploring novel exotic quantum physics, but also possesses potential applications in quantum computation. However, there are…
Two-dimensional (2D) crystals, such as graphene and transition metal dichalcogenides (TMDs), present a collection of unique and complementary optoelectronic properties. Assembling different 2D materials in vertical heterostructures enables…
This investigation demonstrates that the pentagonal PdTe2 (penta-PdTe2) monolayer is a highly tunable two-dimensional (2D) photocatalyst, characterized by the bandgap of 1.75 eV and high hole mobility. Using density functional theory…
Photocatalytic water splitting represents a pivotal pathway for converting solar energy into chemical energy, with the core challenge lying in the design and optimization of photocatalysts [1] . TiO2, as a quintessential photocatalytic…
Vertically stacking two dimensional (2D) materials can enable the design of novel electronic and optoelectronic devices and realize complex functionality. However, the fabrication of such artificial heterostructures in wafer scale with an…
Photoelectrochemical solar water splitting is a promising approach to convert solar energy into sustainable hydrogen fuel using semiconductor electrodes. Due to their visible light absorption properties, oxynitrides have shown to be…
Semiconducting two-dimensional materials and their heterostructures gained a lot of interest for applications as well as fundamental studies due to their rich optical properties. Assembly in van der Waals heterostacks can significantly…
Control over the position, orientation, and stacking order of two-dimensional (2D) materials within van der Waals heterostructures is crucial for applications in electronics, spintronics, optics, and sensing. The most popular strategy for…
Multilayer van der Waals (vdWs) heterostructures assembled by diverse atomically thin layers have demonstrated a wide range of fascinating phenomena and novel applications. Understanding the interlayer coupling and its correlation effect is…
Two-dimensional (2D) materials are frequently associated with the sheets which form bulk layered compounds bonded by van der Waals (vdW) forces. The anisotropy and weak interaction between the sheets have also been the main criteria in the…
We propose a second version of the van der Waals density functional (vdW-DF2) of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)], employing a more accurate semilocal exchange functional and the use of a large-N asymptote gradient…
Interlayer electronic coupling in two-dimensional (2D) materials enables tunable and emergent properties by stacking engineering. However, it also brings significant evolution of electronic structures and attenuation of excitonic effects in…
Hybrid van der Waals heterostructures of organic semiconductors and transition metal dichalcogenides (TMDs) are promising candidates for various optoelectronic devices, such as solar cells and biosensors. Energy-transfer processes in these…
Property by design is one appealing idea in material synthesis but hard to achieve in practice. A recent successful example is the demonstration of van der Waals (vdW) heterostructures,1-3 in which atomic layers are stacked on each other…
Heterostructures comprising different monolayer semiconductors provide a new system for fundamental science and device technologies, such as in the emerging field of valleytronics. Here, we realize valley-specific interlayer excitons in…
Two-dimensional (2D) heterojunctions display a remarkable potential for application in high performance, low power electro-optical systems. p-n junctions based on vertically stacked heterostructures have shown very promising performance as…
Photocatalytic water splitting is an effective way to obtain renewable clean energy. The challenge is to design tunable photocatalyst to meet the needs in different environments. At the same time, the oxygen and hydrogen evolution reactions…