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Adjusting the electronic and magnetic properties of materials by strain engineering is an effective strategy to improve the performance of electronic and spin electronic devices. In this paper, we study the electronic and magnetic properties of Cr 2 C and Cr 2 CX 2 (X = F, O,OH) under mechanical strain based on density functional theory. In the strain-free state, Cr 2 C and Cr 2 CO 2 are in the ferromagnetic (FM) metallic ground states, while Cr 2 CF 2 and Cr 2 C(OH) 2 are in the antiferromagnetic (AFM) semiconducting states. Applying tensile strain can enhance the magnetic moments of the Cr atoms of all the Cr 2 C and Cr 2 CX 2 (X = F, O, OH) systems. The electronic structure can also be affected with the increase of strain, e.g., resulting in narrowing of the band gap of the AFM semiconducting systems (Cr 2 CF 2 and Cr 2 C(OH) 2) and enhancing the spin-splitting of the FM metallic systems (Cr 2 C and Cr 2 CO 2). The results indicate a possible broadened applicability of strained Cr 2 C-based MXenes in future spintronics. • In the strain-free state, Cr 2 C and Cr 2 CO 2 are in the ferromagnetic (FM) metallic ground states, while Cr 2 CF 2 and Cr 2 C(OH) 2 are in the antiferromagnetic (AFM) semiconducting states. • Applying tensile strain can enhance the magnetic moments of the Cr atoms of all the Cr 2 C and Cr 2 CX 2 (X = F, O, OH) systems. • Applying tensile strain can change the electronic properties and magnetic properties of the system. [ABSTRACT FROM AUTHOR]

Antimony sulfide (Sb 2 S 3) is widely used in photocatalysts and photovoltaic cells because of its abundant reserves, low toxicity, environmental friendliness, narrow band gap, and high light absorption capacity. Sb 2 S 3 shows a quasi-one-dimensional structure composed of [Sb 4 S 6 ] n nanoribbons, a lot of reported studies are focused on preparing Sb 2 S 3 with [hk1] oriented dominant growth to improve the photogenerated carrier transport capacity of Sb 2 S 3. However, there is relatively few research on the preparation of [hk1] oriented rod-like Sb 2 S 3 by vapor transport deposition (VTD) method. In this work, the VTD method was used to prepare Sb 2 S 3 with [hk1] oriented growth on the FTO substrate, and then composite with the ternary solid solution Cd x Zn 1−x S. Finally, a novel Sb 2 S 3 /Cd 0.6 Zn 0.4 S S-scheme heterojunction with rod-like core-shell structure was successfully constructed, which could effectively improve the photoelectrochemical properties. Because the solid solution component x is adjustable, that is, Cd x Zn 1−x S has continuously adjustable band gap width and energy level position, the Sb 2 S 3 /Cd x Zn 1−x S heterojunction type can be regulated from Type-II to S-scheme. Photoelectrochemical (PEC) tests indicated that the composite photoanode Sb 2 S 3 /Cd 0.6 Zn 0.4 S achieved a higher photocurrent density (2.54 mA·cm−2, 1.23 V vs. RHE), which is about 4.31 times that of pure Sb 2 S 3 nanorod photoanode (0.59 mA·cm−2, 1.23 V vs. RHE). • Rod-like Sb 2 S 3 with [hk1] orientation is deposited on FTO substrate by VTD method. • The Sb 2 S 3 /Cd x Zn 1−x S heterojunction type can be regulated from Type-Ⅱ to S-scheme. • The S-scheme heterojunction could effectively promote PEC water splitting. • The photoelectrode exhibits considerable photocurrent 2.54 mA·cm−2 at 1.23 V RHE. [ABSTRACT FROM AUTHOR]