Ridged, orthorhombic two-dimensional (2D) group-V elemental and group IV-VI compound analogues of phosphorene provide a versatile platform for nanoelectronics, optoelectronics, and clean energy. However, phosphorene is vulnerable to oxygen in ambient air, which is a major obstacle for its applications. Regarding this issue, here we explore the oxidation behavior of monolayer group-IV monochalcogenides (GeS, GeSe, SnS, and SnSe), in comparison to that of phosphorene and arsenene by first-principles calculations. We find superior oxidation resistance of the monolayer group-IV monochalcogenides, with activation energies for the chemisorption of O on the 2D sheets in the range of 1.26-1.60 eV, about twice of the values of phosphorene and arsenene. The distinct oxidation behaviors of monolayer group-IV monochalcogenides and group-V phosphorene analogues originate from their different bond natures. Moreover, the chemisorption of a moderate amount of oxygen atoms does not severely deteriorate the electronic band structures of the monolayer group-IV monochalcogenides. These results shine light on the utilization of the monolayer group-IV monochalcogenides for next-generation 2D electronics and optoelectronics with high performance and stability.
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http://dx.doi.org/10.1021/acsami.6b16786 | DOI Listing |
RSC Adv
November 2024
Department of Physics, OSED, Key Laboratory of Low Dimensional Condensed Matter Physics (Department of Education of Fujian Province), Xiamen University Xiamen 361005 China
The two-dimensional (2D) hexagonal group IV-V family has attracted significant attention due to their unique properties and potential applications in electronics, spintronics, and photocatalysis. In this study, we report the discovery of a stable tetragonal allotrope, termed the Td4 phase, of 2D IV-V monolayers through a structural search utilizing an adaptive genetic algorithm. We investigate the geometric structures, structural stabilities, and band structures of the Td4-phase 2D IV-V monolayers (where IV = Si, Ge, Sn; V = P, As, Sb) based on the first-principles calculations.
View Article and Find Full Text PDFACS Omega
October 2024
Graduate School of Natural and Applied Science, Ankara University, Ankara 06110, Turkey.
Strong anisotropy exhibited by materials, particularly in their low-dimensional forms, is a highly intriguing characteristic. In this study, we investigate the effects of geometrical potential and thermodynamics on the electronic properties of monolayer monochalcogenide charge carriers. First, the geometrical potential is introduced in a monolayer structure.
View Article and Find Full Text PDFJ Phys Condens Matter
October 2024
Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom.
Atomically thin group IV monochalcogenides or phosphorene analogues are a promising family of materials. Theoretical calculations predict that monolayers (MLs) should be semiconducting, ferroelectric and ferroelastic at room temperature, exhibit large charge mobilities and large non-linear optical response. Yet, experimental studies of these systems are scarce because of the difficulty to produce such MLs.
View Article and Find Full Text PDFBeilstein J Nanotechnol
September 2024
Computational Materials and Photonics (CMP), Department of Electrical Engineering and Computer Science, University of Kassel, Kassel, Germany.
ACS Nano
September 2024
Beijing Academy of Quantum Information Sciences, Beijing 100193, China.
SnSe, an environmental-friendly group-IV monochalcogenide semiconductor, demonstrates outstanding performance in various applications ranging from thermoelectric devices to solar energy harvesting. Its ultrathin films show promise in the fabrication of ferroelectric nonvolatile devices. However, the microscopic identification and manipulation of point defects in ultrathin SnSe single crystalline films, which significantly impact their electronic structure, have been inadequately studied.
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