The latest release of the Crystal program for solid‐state quantum‐mechanical ab initio
simulations is presented. The program adopts atom‐centered Gaussian‐type functions as a …

Two-dimensional (2D) transition metal dichalcogenides (TMDCs) have been considered as
promising candidates for next generation nanoelectronics. Because of their atomically-thin …

Advanced beyond-silicon electronic technology requires both channel materials and also
ultralow-resistance contacts to be discovered,. Atomically thin two-dimensional …

The main gas‐sensing mechanisms of 2D materials are surface charge transfer by analytes
and Schottky barrier (SB) modulation at the interface between the metallic and …

Surfaces and heterojunction interfaces, where defects and energy levels dictate charge‐
carrier dynamics in optoelectronic devices, are critical for unlocking the full potential of …

The formation of the Schottky barrier height (SBH) is a complex problem because of the
dependence of the SBH on the atomic structure of the metal-semiconductor (MS) interface …

The scaling of complementary metal oxide semiconductor (CMOS) transistors has led to the
silicon dioxide layer used as a gate dielectric becoming so thin that the gate leakage current …

One of the major areas of semiconductor device research is the development of transparent
or ohmic contacts between semiconductors and metal electrodes for the efficient injection of …

Two-dimensional (2D) semiconductors have shown great potential for electronic and
optoelectronic applications. However, their development is limited by a large Schottky …

Abstract 2D transition metal chalcogenide (TMDC) materials, such as MoS2, have recently
attracted considerable research interest in the context of their use in ultrascaled devices …