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Predicting and designing highly gas‐sensitive semiconductors is crucial for solving growing environmental problems. Herein, four lateral heterostructures (LHSs), As6/Sb6 AC‐/ZZ‐LHSs and Sb6/Bi6 AC‐/ZZ‐LHSs, are constructed. The adsorption of NO molecule on these LHSs is investigated using first‐principle calculations. The results indicate that the adsorption of NO molecule on As6/Sb6 LHS with armchair (AC) interface is physisorption, whereas NO molecule is chemically adsorbed on As6/Sb6 LHS with zigzag (ZZ) interface and Sb6/Bi6 AC‐/ZZ‐LHSs, with strong adsorption energy and large charge transfer. All LHSs act as charge donors for the NO molecule. Meanwhile, the adsorption of NO molecule causes a significant change in the electronic properties of As6/Sb6 ZZ‐LHS and Sb6/Bi6 AC‐/ZZ‐LHSs, which shows that these LHSs have great potential for application in NO gas sensors. [ABSTRACT FROM AUTHOR]

Identifying interfacial properties and discussing optical properties of antimony‐based type II superlattices are the key factors for developing high performance of infrared optoelectronic devices. Herein, the multi‐epitaxy‐layered structure of a mid‐wavelength‐responsive infrared detector with an InAs/InAsSb superlattice as an active area layer is grown and investigated. High‐resolution X‐ray diffraction, high‐resolution transmission electron microscopy, and the geometric phase analysis indicate epitaxial layers of high crystalline quality and small lattice mismatches. The electric field results obtained by differential phase contrast scanning transmission electron microscopy further confirm the sharp interface states and good periodic structure of the as‐grown samples. The photoluminescence spectrum shows that the photoluminescence signal center is 5.4 μm at 75 K, even at 320 K, the sample still maintains a photoluminescence signal of 6.2 μm. [ABSTRACT FROM AUTHOR]

2D material structures have drawn much attention because of the unique characteristics of carriers confined in 2D planes. Various structures have been fabricated for high‐performance optoelectronic devices. Herein, via first principles, lateral heterostructures (LHSs) based on antimony (Sb) and bismuth (Bi) are predicted and band structures affected under strain are calculated. For Sb/Bi LHSs, zigzag and armchair atomic configurations are considered. By altering the number of atoms on two sides of the heterostructures, the Sb/Bi LHSs exhibit narrow bandgaps. Moreover, external compressive and tensile strains induce transitions from indirect to direct band structures and further compress the bandgap energy into the midinfrared range. Partial density‐of‐states analysis indicates that, under the applied strains, the valence band mainly comprises Bi 6p states and Sb 5p states. In addition, charge density distributions indicate that electrons are localized at Bi atoms, whereas holes are localized at Sb atoms, thus exhibiting spatial separation of carriers. A narrow‐bandgap material in which the band structure and electronic structure characteristics have great potential for infrared optoelectronic applications is proposed herein. [ABSTRACT FROM AUTHOR]