In-plane thermoelectric properties of graphene/BN/graphene van der Waals heterostructures.

2D materials have attracted broad attention from researchers for their unique electronic properties, which may be been further enhanced by combining 2D layers into vertically stacked van der Waals heterostructures (vdWHs). Among the superlative properties of 2D systems, thermoelectric (TE) energy conversion promises to enable targeted energy conversion, localized thermal management, and thermal sensing. However, TE conversion efficiency remains limited by the inherent tradeoff between conductivity and thermopower.

Thermal boundary conductance of monolayer beyond-graphene two-dimensional materials on SiOand GaN.

Two-dimensional (2D) materials have emerged as a platform for a broad array of future nanoelectronic devices. Here we use first-principles calculations and phonon interface transport modeling to calculate the temperature-dependent thermal boundary conductance (TBC) in single layers of beyond-graphene 2D materials silicene, hBN, boron arsenide (BAs), and blue and black phosphorene (BP) on amorphous SiOand crystalline GaN substrates. Our results show that for 2D/3D systems, the room temperature TBC can span a wide range from  7 to 70 MW mK with the lowest being for BP and highest for hBN.

Power Dissipation of WSe Field-Effect Transistors Probed by Low-Frequency Raman Thermometry.

The ongoing shrinkage in the size of two-dimensional (2D) electronic circuitry results in high power densities during device operation, which could cause a significant temperature rise within 2D channels. One challenge in Raman thermometry of 2D materials is that the commonly used high-frequency modes do not precisely represent the temperature rise in some 2D materials because of peak broadening and intensity weakening at elevated temperatures. In this work, we show that a low-frequency E shear mode can be used to accurately extract temperature and measure thermal boundary conductance (TBC) in back-gated tungsten diselenide (WSe) field-effect transistors, whereas the high-frequency peaks (E and A) fail to provide reliable thermal information.

Impact of Mismatch Angle on Electronic Transport Across Grain Boundaries and Interfaces in 2D Materials.

We study the impact of grain boundaries (GB) and misorientation angles between grains on electronic transport in 2-dimensional materials. Here we have developed a numerical model based on the first-principles electronic bandstructure calculations in conjunction with a method which computes electron transmission coefficients from simultaneous conservation of energy and momentum at the interface to essentially evaluate GB/interface resistance in a Landauer formalism. We find that the resistance across graphene GBs vary over a wide range depending on misorientation angles and type of GBs, starting from 53 Ω μm for low-mismatch angles in twin (symmetric) GBs to about 10 Ω μm for 21° mismatch in tilt (asymmetric) GBs.

Direct Growth of High Mobility and Low-Noise Lateral MoS -Graphene Heterostructure Electronics.

Reliable fabrication of lateral interfaces between conducting and semiconducting 2D materials is considered a major technological advancement for the next generation of highly packed all-2D electronic circuitry. This study employs seed-free consecutive chemical vapor deposition processes to synthesize high-quality lateral MoS -graphene heterostructures and comprehensively investigated their electronic properties through a combination of various experimental techniques and theoretical modeling. These results show that the MoS -graphene devices exhibit an order of magnitude higher mobility and lower noise metrics compared to conventional MoS -metal devices as a result of energy band rearrangement and smaller Schottky barrier height at the contacts.

Interface thermal conductance of van der Waals monolayers on amorphous substrates.

Heterostructures based on atomic monolayers are emerging as leading materials for future energy efficient and multifunctional electronics. Due to the single atom thickness of monolayers, their properties are strongly affected by interactions with the external environment. We develop a model for interface thermal conductance (ITC) in an atomic monolayer van der Waals bonded to a disordered substrate.