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Data-driven and probabilistic learning of the process-structure-property relationship in solution-grown tellurene for optimized nanomanufacturing of high-performance nanoelectronics
摘要： Two-dimensional (2-D) semiconductors have been intensely explored as alternative channel materials for future generation ultra-scaled transistor technology [1–8]. However, significant roadblocks (e.g., poor carrier mobilities [9–11], instability [4,5,10], and vague potential in scaling-up [10,12–15]) exist that prevent the realization of the current state-of-the-art 2-D materials’ potential for energy-efficient electronics. The emergent solution-grown tellurene exhibits attractive attributes, e.g., high room-temperature mobility, large on-state current density, air-stability, and tunable material properties through a low-cost, scalable process, to tackle these challenges [16]. Nevertheless, the fundamental manufacturing science of the hydrothermal processing for tellurene remains elusive. Here, we report on the first systematic, data-driven learning of the process-structure-property relationship in solution-grown tellurene, revealing the process factors’ effects on tellurene’s production yield, dimensions, and transistor-relevant properties, through a holistic approach integrating both the experimental explorations and data analytics. We further demonstrate the application of such fundamental knowledge for developing tellurene transistors with optimized and reliable performance, which can enable the cost-effective realization of high-speed, energy-efficient electronics.
关键词： Process-structure-property relationship,2-D materials,Energy-efficient electronics,Nanomanufacturing,Tellurene,Data-driven learning
更新于2025-09-23 15:23:52
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Phase Transition in Two-dimensional Tellurene under Mechanical Strain Modulation
摘要： We carry out computational simulations based on density functional theory (DFT) to investigate different phases of two-dimensional (2-D) tellurene. These phases are classified by their characteristic space groups and symmetry elements. Correlations of these phases to the bulk crystalline tellurium structure are also illustrated. Our specific interests include mechanical property calculations for different phases and the possible phase transitions between them. Simulation results show that these 2-D Te phases have very different elastic moduli due to their different atomic bonding and relaxed structures. Moreover, compression along the in-plane directions facilitates the α → β phase transition, while in-plane tensile strains always make the α-phase more stable than the β-phase. However, the energy difference between the two phases is comparable to or even much smaller than the thermal energy kT, depending on the in-plane strain direction. We find that further increase of the tensile strain along the chain direction beyond a critical value, ca. 12%, may lead to a possible α → γ phase transition. As the tensile strain is above 15%, the γ-phase will be more stable than the α-phase, accompanied by a further reduced transition energy barrier.
关键词： phase transition,elastic modulus,Tellurene,strain engineering,density functional theory (DFT),2-D materials
更新于2025-09-23 15:22:29
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Symmetry-breaking induced large piezoelectricity in Janus tellurene materials
摘要： Symmetry-breaking induced large piezoelectricity in Janus tellurene materials. Structural symmetry-breaking can lead to novel electronic and piezoelectric properties in two-dimensional (2D) materials. In this paper, we propose a 2D Janus tellurene (Te2Se) monolayer with asymmetric Se/Te surfaces and its derived multilayer structures. The band structure calculations show that the 2D Janus Te2Se monolayer is an indirect gap semiconductor, and the intrinsic mirror asymmetry combined with the spin–orbit coupling induces the Rashba spin splitting and the out-of-plane spin polarization. Moreover, the absence of both the inversion symmetry and out-of-plane mirror symmetry, together with flexible mechanical properties, results in large in-plane and out-of-plane piezoelectric coefficients that are valuable in 2D piezoelectric materials. Furthermore, the out-of-plane piezoelectric effects can exist in multilayer structures under different stacking sequences while the in-plane piezoelectric effect can only exist in some specific stacking patterns. The piezoelectric coefficients of the Janus Te2Se monolayer and multilayers exceed those of many Janus transition metal dichalcogenides and other well-known piezoelectric materials (e.g., a-quartz and wurtzite-AlN). The combination of the SOC-induced spin splitting and large piezoelectricity endows the Janus Te2Se structures with potential for applications in spintronics, flexible electronics and piezoelectric devices.
关键词： spintronics,2D materials,Janus tellurene,symmetry-breaking,piezoelectricity
更新于2025-09-19 17:15:36
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Nonlayered tellurene as an elemental 2D topological Insulator: experimental evidence from scanning tunneling spectroscopy
摘要： We report formation of nonlayered tellurene monolayer in its alpha-phase through an anisotropic ultrasonication method. The nonlayered tellurene has so far been predicted to exhibit a topologically insulating state of matter in two-dimensional (2D) form with an insulating interior and metallic edge-states propagating along the perimeter of the 2D objects. In this work, we report a direct evidence of elemental topological insulator behavior in the material through a localized mode of measurement, that is, scanning tunneling spectroscopic studies. We moreover deliberate on the length-scale the time-reversal symmetry-protected edge-states extend towards the interior. The metallic edge, which has been found to span over a 3 nm region, opens and widens monotonically into gapped states. The appearance of elemental 2D topological insulator phase has been explained in terms of built-in strains in the systems as viewed through a shift in Raman modes.
关键词： Scanning Tunneling Spectroscopy,Elemental 2D Topological Insulator,Nonlayered Tellurene
更新于2025-09-19 17:15:36
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Tellurene Photodetector with High Gain and Wide Bandwidth
摘要： Two-dimensional (2D) semiconductors have been extensively explored as a new class of materials with great potential. In particular, black phosphorus (BP) has been considered to be a strong candidate for applications such as high-performance infrared photodetectors. However, the scalability of BP thin film is still a challenge, and its poor stability in the air has hampered the progress of the commercialization of BP devices. Herein, we report the use of hydrothermal-synthesized and air-stable 2D tellurene nanoflakes for broadband and ultrasensitive photodetection. The tellurene nanoflakes show high hole mobilities up to 458 cm2/V·s at ambient conditions, and the tellurene photodetector presents peak extrinsic responsivity of 383 A/W, 19.2 mA/W, and 18.9 mA/W at 520 nm, 1.55 μm, and 3.39 μm light wavelength, respectively. Due to the photogating effect, high gains up to 1.9 ×103 and 3.15×104 are obtained at 520 nm and 3.39 μm wavelength, respectively. At the communication wavelength of 1.55μm, the tellurene photodetector exhibits an exceptionally high anisotropic behavior, and a large bandwidth of 37 MHz is obtained. The photodetection performance at different wavelength is further supported by the corresponding quantum molecular dynamics (QMD) simulations. Our approach has demonstrated the air-stable tellurene photodetectors that fully cover the short-wave infrared band with ultrafast photoresponse.
关键词： air-stable,two-dimensional (2D),wide bandwidth,tellurene,photodetector,high gain
更新于2025-09-12 10:27:22