Junhao Lin

Two-dimensional GaSe/MoSe2 misfit bilayer heterojunctions by van der Waals epitaxy

Synthesized two-dimensional GaSe/MoSe2 misfit heterostructures form p-n junctions with a gate-tunable photovoltaic response. Two-dimensional (2D) heterostructures hold the promise for future atomically thin electronics and optoelectronics because of their diverse functionalities. Although heterostructures consisting of different 2D materials with well-matched lattices and novel physical properties have been successfully fabricated via van der Waals (vdW) epitaxy, constructing heterostructures from layered semiconductors with large lattice misfits remains challenging. We report the growth of 2D GaSe/MoSe2 heterostructures with a large lattice misfit using two-step chemical vapor deposition (CVD). Both vertically stacked and lateral heterostructures are demonstrated. The vertically stacked GaSe/MoSe2 heterostructures exhibit vdW epitaxy with well-aligned lattice orientation between the two layers, forming a periodic superlattice. However, the lateral heterostructures exhibit no lateral epitaxial alignment at the interface between GaSe and MoSe2 crystalline domains. Instead of a direct lateral connection at the boundary region where the same lattice orientation is observed between GaSe and MoSe2 monolayer domains in lateral GaSe/MoSe2 heterostructures, GaSe monolayers are found to overgrow MoSe2 during CVD, forming a stripe of vertically stacked vdW heterostructures at the crystal interface. Such vertically stacked vdW GaSe/MoSe2 heterostructures are shown to form p-n junctions with effective transport and separation of photogenerated charge carriers between layers, resulting in a gate-tunable photovoltaic response. These GaSe/MoSe2 vdW heterostructures should have applications as gate-tunable field-effect transistors, photodetectors, and solar cells.

Rapid and Nondestructive Identification of Polytypism and Stacking Sequences in Few‐Layer Molybdenum Diselenide by Raman Spectroscopy

Various combinations of interlayer shear modes emerge in few-layer molybdenum diselenide grown by chemical vapor deposition depending on the stacking configuration of the sample. Raman measurements may also reveal polytypism and stacking faults, as supported by first principles calculations and high-resolution transmission electron microscopy. Thus, Raman spectroscopy is an important tool in probing stacking-dependent properties in few-layer 2D materials.

Large-Area and High-Quality 2D Transition Metal Telluride

Large-area and high-quality 2D transition metal tellurides are synthesized by the chemical vapor deposition method. The as-grown WTe2 maintains two different stacking sequences in the bilayer, where the atomic structure of the stacking boundary is revealed by scanning transmission electron microscopy. The low-temperature transport measurements reveal a novel semimetal-to-insulator transition in WTe2 layers and an enhanced superconductivity in few-layer MoTe2 .

Modelling and simulation of electron-rich effect on Li diffusion in group IVA elements (Si, Ge and Sn) for Li ion batteries

Improvements in the electrical conductivity and lithium (Li) mobility for Li ion batteries are of particular importance for their high-power applications. Mapping of electron energy loss spectroscopy shows that the electrochemical reaction front region is under electron-rich conditions during lithiation. In this paper, the electron-rich effect on the diffusion behaviors of Li in pristine and phosphorus-doped group IVA elements, e.g., silicon, germanium and tin, were investigated using the first principles density functional theory (DFT) calculations in combination with a climbing-image nudged elastic band and ab initio DFT molecular dynamics. Phosphorus doping was found to be a non-critical factor for enhanced Li diffusion into Si. Instead, the results showed that the diffusion barriers and diffusivity of Li are mainly affected by the electron-rich effect, i.e. the energy barriers decrease and diffusivity increases in an electron-rich environment. The decrease in diffusion barriers was attributed to the relaxation of Si–Si bonds with extra electrons, which can also apply to the case of Ge but not for metallic Sn. These new findings provide a theoretical and experimental basis for the design and fabrication of next generation batteries with a high power density.

Fast kinetics of magnesium monochloride cations in interlayer-expanded titanium disulfide for magnesium rechargeable batteries

Magnesium rechargeable batteries potentially offer high-energy density, safety, and low cost due to the ability to employ divalent, dendrite-free, and earth-abundant magnesium metal anode. Despite recent progress, further development remains stagnated mainly due to the sluggish scission of magnesium-chloride bond and slow diffusion of divalent magnesium cations in cathodes. Here we report a battery chemistry that utilizes magnesium monochloride cations in expanded titanium disulfide. Combined theoretical modeling, spectroscopic analysis, and electrochemical study reveal fast diffusion kinetics of magnesium monochloride cations without scission of magnesium-chloride bond. The battery demonstrates the reversible intercalation of 1 and 1.7 magnesium monochloride cations per titanium at 25 and 60u2009°C, respectively, corresponding to up to 400u2009mAhu2009g−1 capacity based on the mass of titanium disulfide. The large capacity accompanies with excellent rate and cycling performances even at room temperature, opening up possibilities for a variety of effective intercalation hosts for multivalent-ion batteries.Magnesium rechargeable batteries potentially offer high-energy density, safety, and low cost. Here the authors show a battery that reversibly intercalates magnesium monochloride cations with excellent rate and cycle performances in addition to the large capacity.

Remarkable optical and magnetic properties of ultra-thin europium oxysulfide nanorods

Ultra-thin europium oxysulfide nanorods were synthesized through a facile colloidal method. In addition to their size-dependent optical properties, surprising magnetic properties were observed for the first time. The nanorods were readily assembled into uniform films by electrophoretic deposition. This research opens up the opportunity for lanthanide compound nanomaterials to be efficiently synthesized and assembled.

Pressure‐Induced Phase Transition in Weyl Semimetallic WTe2

Tungsten ditelluride (WTe2 ) is a semimetal with orthorhombic Td phase that possesses some unique properties such as Weyl semimetal states, pressure-induced superconductivity, and giant magnetoresistance. Here, the high-pressure properties of WTe2 single crystals are investigated by Raman microspectroscopy and ab initio calculations. WTe2 shows strong plane-parallel/plane-vertical vibrational anisotropy, stemming from its intrinsic Raman tensor. Under pressure, the Raman peaks at ≈120 cm-1 exhibit redshift, indicating structural instability of the orthorhombic Td phase. WTe2 undergoes a phase transition to a monoclinic T phase at 8 GPa, where the Weyl states vanish in the new T phase due to the presence of inversion symmetry. Such Td to T phase transition provides a feasible method to achieve Weyl state switching in a single material without doping. The new T phase also coincides with the appearance of superconductivity reported in the literature.

Interfaces in Two-Dimensional Heterostructures of Transition Metal Dichalcogenides

1. Materials Science & Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA 2. Department of Physics and Astronomy, Vanderbilt University, Nashville, TN 37235, USA 3. Department of Chemistry, Rice University, Houston, TX 77005, USA 4. Department of Materials Science & NanoEngineering, Rice University, Houston, TX 77005, USA 5. School of Materials Science and Engineering, School of Electrical and Electronic Engineering Nanyang Technological University, 639798, Singapore