Abstract:optoelectronic devices. The atom-scale thickness and the absence of surface dangling bonds enable them significant advantage for the electrostatic control and van der Waals (vdW) integration, which is essential for the realization of functional devices with scaling dimensions and ultralow off-state power consumption. [5,6] The formation of p-n junctions is a fundamental step for the realization of 2D semiconductor devices used in transistors, memories, photodetectors, solar cells, and light-emitting diodes. [7… Show more
“…The OOP localization of the CBM and VBM states arises from the polarization-induced band bending. 38,52 For the case of R up = 18.75%, the bands of the P down and P up regions are not degenerate (Fig. 4b).…”
Section: Resultsmentioning
confidence: 94%
“…Our recent studies have revealed that the electronic structures and carrier density of α-In 2 Se 3 depend on the polarization orientation and phase structure. 38,39 Despite these advances, it remains challenging to understand the domain switching dynamics in α-In 2 Se 3 , including the domain nucleation and growth process, since the evolution of the FE domains usually takes place on very short timescales at the atomic scale. Moreover, a qualitative relationship between the electronic structures and domain textures of α-In 2 Se 3 ferroelectrics remains unexplored.…”
The reversed α-In2Se3 domains with armchair boundaries are characterized by triangular or stripped shape, and the band gap, carrier spatial distribution, and charge transport of α-In2Se3 ferroelectrics strongly depend on their domain structures.
“…The OOP localization of the CBM and VBM states arises from the polarization-induced band bending. 38,52 For the case of R up = 18.75%, the bands of the P down and P up regions are not degenerate (Fig. 4b).…”
Section: Resultsmentioning
confidence: 94%
“…Our recent studies have revealed that the electronic structures and carrier density of α-In 2 Se 3 depend on the polarization orientation and phase structure. 38,39 Despite these advances, it remains challenging to understand the domain switching dynamics in α-In 2 Se 3 , including the domain nucleation and growth process, since the evolution of the FE domains usually takes place on very short timescales at the atomic scale. Moreover, a qualitative relationship between the electronic structures and domain textures of α-In 2 Se 3 ferroelectrics remains unexplored.…”
The reversed α-In2Se3 domains with armchair boundaries are characterized by triangular or stripped shape, and the band gap, carrier spatial distribution, and charge transport of α-In2Se3 ferroelectrics strongly depend on their domain structures.
“…Cao et al 41 reported 2D WSeTe/XS 2 (X = Hf, Sn, and Zr) vdW heterojunctions, and constructed six different structural models for the WSeTe/HfS 2 bilayer, the WSeTe/SnS 2 bilayer, and the WSeTe/ZrS 2 bilayer, respectively. Yang et al 42 considered six stacking configurations of MoSe 2 /GaN interfaces to confirm the most stable heterojunction model, and obtained them through the translation method. Yu et al 43 considered multiple atomic coincidence patterns when constructing the Janus MoSSe/WX 2 (X = S and Se) vdW heterojunction models.…”
The g-ZnO/Si9C15 S-scheme heterojunction exhibits high electron carrier mobility, PCE and corrected STH efficiency, and low over-voltage of the electrocatalytic HER.
“…Usually, the situation is that one layer gets electrons and another layer loses electrons. Previous research studies 24–86 on 2D vdWs semiconductor heterostructures with type-II band alignment are listed in Table 1. Some of them have been proved theoretically to be Z-scheme photocatalysts for water-splitting.…”
It is crucial to understand the electronic properties of two-dimensional (2D) semiconductor heterostructures for better application in photocatalyst and nano-electronic devices. In this work, using the first-principles calculations, taking quintuple-layer...
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