At present, chips urgently need breakthrough development in the power consumption and integration. The chip integrates billions or even tens of billions of electronic components, such as field effect transistor, diode and so on. Therefore, the research and development of new low-power electronic components with smaller size is an effective method to reduce chip power consumption and improve chip integration. In this paper, the ferroelectric field effect transistor (Fe-FET) based on two-dimensional heterostructures α-In₂Se₃/ZnSe is proposed. Based on the first principle, the program will analyze the stability and band structure of α-In₂Se₃/ZnSe under different stacking modes. In the heterojunction, the microphysical mechanism of ferroelectric polarization affecting the electronic structure is revealed from the aspects of charge transfer at the interface and the asymmetric surfaces with different work function. Combined with the non-equilibrium Green’s function transport theory, the transport properties of Fe-FET based on their α-In₂Se₃/ZnSe will be studied. The application will provide sufficient theoretical support for research and development of the device based on α-In₂Se₃/ZnSe structure.

The presence of self-assembled nano-ridged (SANR) structures in PTB7-Th:PC₇₀BM:PC₆₀BM ternary organic blend film with the specific component ratio was experimentally clarified, and the light-trapping effect of the SANR structures was demonstrated. On this basis, the light-trapping characteristics of the PTB7-Th:PC₇₀BM:PC₆₀BM ternary blend film with the SANR structures were investigated by using the finite-difference time-domain (FDTD) algorithm. The results showed that the SANR structures have a light-trapping effect, which can effectively reduce the transmittance and reflectance of the incident photons at the specific wavelengths and thus exhibit stronger photon absorption, especially for the photons in the wavelength range of 550–650 nm. The light-trapping effect of the SANR structures does not depend on the direction of photon incidence, and the active layer traps the photons incident from both its top and bottom. The dimensional variation of the SANR has a significant effect on the light-trapping characteristics of the active layer, and the effect caused by the height variation is overwhelmingly superior compared with that of the width variation. In addition, the higher the density of the SANR, the more significant the light-trapping effect of the active layer. This work provides a theoretical basis for the further experimental enhancement of the photon absorption capacity of the PTB7-Th:PC₇₀BM:PC₆₀BM active layer with SANR structures.

The cathode buffer layer (CBL) plays a crucial role in organic solar cells (OSCs), and it has been challenging to obtain high-quality CBL by using simple and reliable processes. In this paper, the bilayer structure consisting of ZnO nanoparticles (NPs) and sol–gel SnO₂ was prepared by the low-temperature (<100 °C) UV-ozone (UVO) sintering process and used as the robust CBL for ternary OSCs based on PTB7-Th:PCDTBT:PC₇₀BM. The results show that the insertion of SnO₂ can effectively fill the cracks and pores on the surface of the ZnO NP film, thereby improving the overall compactness and flatness of the CBL and reducing the defect density inside the CBL. Furthermore, the insertion of SnO₂ slightly improves the transmittance of the CBL to photons with wavelengths in the range of 400–600 nm, and also increases the electron mobility of the CBL thus facilitating the extraction and transport of the electrons. Compared to the devices using UVO-ZnO and UVO-SnO₂ CBLs, the devices with UVO-ZnO/SnO₂ CBL exhibit exceptional performance advantages, the best power conversion efficiency (PCE) reaches 10.56%. More importantly, the stability of the devices with ZnO/SnO₂ CBL is significantly improved, the device (PCE) still maintains 60% of the initial value after 30 days in air. The positive results show that the UVO-ZnO/SnO₂ is an ideal CBL for OSCs, and due to the low-temperature process, it has great application potential in flexible OSCs.

With the discovery of two-dimensional (2D) ferroelectric materials such as CuInP₂S₆ and α-In₂Se₃, the ferroelectric field effect transistors (Fe-FETs) based on these materials have entered a rapid-development period. The metal/semiconductor contact is an unavoidable topic in the construction of devices. In this paper, heterostructures α-In₂Se₃/metals (Pd, Pt, Cu, Ag and Au) are discussed. According to different stacking types, the structures and energy of 160 heterostructures are calculated and compared. When α-In₂Se₃ contacts with the Pd, Pt and Cu, the α-In₂Se₃ may transforms into β-In₂Se₃. This phenomenon has hardly been mentioned or analyzed in previous reports. Contacting with the Au and Ag, the α-In₂Se₃ maintains the original structure. The internal physical mechanism of phase transition is explained from the binding energy and the charge transfer. The paper provides sufficient theoretical support for research and development of the Fe-FETs based on α-In₂Se₃.

Molecular dynamics simulations were conducted at a cooling rate of 1.0 × 10¹¹ K/s to investigate the solidification mechanism of zirconium (Zr) under high pressure. Three distinct pressure-dependent regimes are identified: crystallization into a body-centered cubic (BCC) phase below 27.5 GPa, vitrification between 27.5 and 65 GPa, and crystallization into an A15 phase above 65 GPa. The volume change during crystallization is found to reverse at critical pressures of 5 and 103 GPa, and anomalous behavior is observed at the phase boundaries: at 27.5 and 65 GPa, the volume varies continuously despite a sharp drop in potential energy, whereas at 65 GPa, the volume decreases abruptly while the energy changes smoothly. Structural analysis indicates that evolution in the low-pressure regime is governed by atomic configurations extending to the second-neighbor shell, while at high pressures, nearest-neighbor interactions become dominant. This work clarifies the microstructure–pressure relationship during metallic solidification, providing insights into controlling phase transitions under extreme conditions.