Homogeneous in-plane WSe2 P-N junctions for advanced optoelectronic devices.

Conventional doping schemes of silicon (Si) microelectronics are incompatible with atomically thick two-dimensional (2D) transition metal dichalcogenides (TMDCs), which makes it challenging to construct high-quality 2D homogeneous p-n junctions. Herein, we adopt a simple yet effective plasma-treated doping method to seamlessly construct a lateral 2D WSe2 p-n homojunction. WSe2 with ambipolar transport properties was exposed to O2 plasma to form WOx on the surface in a self-limiting process that induces hole doping in the underlying WSe2via electron transfer. Different electrical behaviors were observed between the as-exfoliated (ambipolar) region and the O2 plasma-treated (p-doped) region under electrostatic modulation of the back-gate bias (VBG), which produces a p-n in-plane homojunction. More importantly, a small contact resistance of 710 Ω µm with a p-doped region transistor mobility of ∼157 cm2 V-1 s-1 was achieved due to the transformation of Schottky contact into Ohmic contact after plasma treatment. This effectively avoids Fermi-level pinning and significantly improves the performance of photodetectors. The resultant WSe2 p-n junction device thus exhibits a high photoresponsivity of ∼7.1 × 104 mA W-1 and a superior external quantum efficiency of ∼228%. Also, the physical mechanism of charge transfer in the WSe2 p-n homojunction was analyzed. Our proposed strategy offers a powerful route to realize low contact resistance and high photoresponsivity in 2D TMDC-based optoelectronic devices, paving the way for next-generation atomic-thickness optoelectronics.

High Photoresponse Black Phosphorus TFTs Capping with Transparent Hexagonal Boron Nitride.

Black phosphorus (BP), a single elemental two-dimensional (2D) material with a sizable band gap, meets several critical material requirements in the development of future nanoelectronic applications. This work reports the ambipolar characteristics of few-layer BP, induced using 2D transparent hexagonal boron nitride (h-BN) capping. The 2D h-BN capping have several advantages over conventional Al2O3 capping in flexible and transparent 2D device applications. The h-BN capping technique was used to achieve an electron mobility in the BP devices of 73 cm2V-1s-1, thereby demonstrating n-type behavior. The ambipolar BP devices exhibited ultrafast photodetector behavior with a very high photoresponsivity of 1980 mA/W over the ultraviolet (UV), visible, and infrared (IR) spectral ranges. The h-BN capping process offers a feasible approach to fabricating n-type behavior BP semiconductors and high photoresponse BP photodetectors.

Electrical Switch of Poisson's Ratio in IV-VI Monolayers via Pseudophase Transitions.

The recent discovery of negative Poisson's ratio (NPR) in two-dimensional (2D) atomic crystals has stimulated extensive research interest in their intriguing physical properties. Here, via density functional theory (DFT) calculations, we reveal in the family of 2D IV-VI semiconductors that an iso-symmetry structure variation concerning the switch of the cation (IV) versus anion (VI) in the outermost layers leads to the change of sign of Poisson's ratio. Such iso-symmetry structural pseudo-phase transition can be induced by external strains, as well as electric fields, realizing the possibility of an electrically switchable Poisson effect. The phase transition process could involve a dynamic intermediate state with an alternative cation/anion switch in the frequencies of 2-3 THz according to the real-time time-dependent DFT (rt-TDDFT) calculations. The results open the way for studying pseudophases in 2D materials associated with sharply different physical properties, such as Poisson's ratio, for electromechanical and optoelectronic applications.

Incorporating Rare-Earth Terbium(III) Ions into Cs2 AgInCl6 :Bi Nanocrystals toward Tunable Photoluminescence.

The incorporation of impurity ions or doping is a promising method for controlling the electronic and optical properties and the structural stability of halide perovskite nanocrystals (NCs). Herein, we establish relationships between rare-earth ions doping and intrinsic emission of lead-free double perovskite Cs2 AgInCl6 NCs to impart and tune the optical performances in the visible light region. Tb3+ ions were incorporated into Cs2 AgInCl6 NCs and occupied In3+ sites as verified by both crystallographic analyses and first-principles calculations. Trace amounts of Bi doping endowed the characteristic emission (5 D4 →7 F6-3 ) of Tb3+ ions with a new excitation peak at 368 nm rather than the single characteristic excitation at 290 nm of Tb3+ . By controlling Tb3+ ions concentration, the emission colors of Bi-doped Cs2 Ag(In1-x Tbx )Cl6 NCs could be continuously tuned from green to orange, through the efficient energy-transfer channel from self-trapped excitons to Tb3+ ions. Our study provides the salient features of the material design of lead-free perovskite NCs and to expand their luminescence applications.

Electric field modulation in the auxetic effect of BP-analog monolayer As and Sb by first-principles calculations.

In this paper, we have introduced the auxetic effect in black phosphorus (BP) analog Sb and achieved auxetic modulations in monolayer As and Sb via first-principles calculations. Compared with monolayer As, the monolayer Sb is phonon unstable. By applying uniaxial strain along each direction, we discovered zigzag-vertical reversibility on out-of-plane auxeticity, and the negative Poisson's ratios for monolayer As and Sb were simulated to be -0.125/-0.172 and -0.036/-0.063, respectively, by applying the strain along zigzag/vertical directions. The negative Poisson's ratio could be significantly manipulated by applying a vertical electric field as it can be increased up to 70.3% for monolayer As and decreased up to 55.6% for monolayer Sb. Such an intrinsic negative Poisson's ratio and electric field modulation could endow these monolayers with potential applications in auxetic optoelectronic devices, electrodes and sensors, leading to novel multi-functionalities.

First principles modeling of pure black phosphorus devices under pressure.

Black phosphorus (BP) has a pressure-dependent bandgap width and shows the potential for applications as a low-dimensional pressure sensor. We built two kinds of pure BP devices with zigzag or armchair conformation, and explored their pressure-dependent conductance in detail by using first principles calculations. The zigzag BP devices and the armchair BP devices exhibit different conductance-pressure relationships. For the zigzag BP devices conductance is robust against stress when the out-of-plane pressure ratio is less than 15%, and then increases rapidly until the conductive channels are fully opened. For the armchair pure BP devices conductance decreases at first by six orders of magnitude under increasing pressure and then increases quickly with further increase of pressure until the devices enter the on-state. This shows that the pure zigzag BP devices are more suitable for the application as flexible electronic devices with almost constant conductance under small pressure, while armchair BP devices can serve as bidirectional pressure sensors. Real-space distributions of band alignments were explored to understand the different pressure-related properties. We fitted a set of parameters based on the results from the empirical Wentzel-Kramers-Brillouin method, which provides an effortless approximation to quantitatively predict the pressure-related behaviors of large pure BP devices.

Continuously Tuning Electronic Properties of Few-Layer Molybdenum Ditelluride with in Situ Aluminum Modification toward Ultrahigh Gain Complementary Inverters.

Semiconducting molybdenum ditelluride (2H-MoTe2), a two-dimensional (2D) transition metal dichalcogenide, has attracted extensive research attention due to its favorable physical properties for future electronic devices, such as appropriate bandgap, ambipolar transport characteristic, and good chemical stability. The rational tuning of its electronic properties is a key point to achieve MoTe2-based complementary electronic and optoelectronic devices. Herein, we demonstrate the dynamic and effective control of the electronic properties of few-layer MoTe2, through the in situ surface modification with aluminum (Al) adatoms, with a view toward high-performance complementary inverter devices. MoTe2 is found to be significantly electron doped by Al, exhibiting a continuous transport transition from p-dominated ambipolar to n-type unipolar with enhanced electron mobility. Using a spatially controlled Al doping technique, both p- and n-channels are established on a single MoTe2 nanosheet, which gives complementary inverters with a record-high gain of ∼195, which stands out in the 2D family of materials due to the balanced p- and n-transport in Al-modified MoTe2. Our studies coupled with the tunable nature of in situ modification enable MoTe2 to be a promising candidate for high-performance complementary electronics.