Related papers: Predicted Janus SnSSe monolayer: a comprehensive f…
van der Waals stacking of two-dimensional (2D) materials offers a powerful platform for engineering material interfaces with tailored electronic and optical properties. While most van der Waals multilayers have featured inorganic…
Monolayer transition metal dichalcogenides (TMDs) are a key class of two-dimensional (2D) materials with broad technological potential. Their Janus counterparts exhibit unique properties due to broken out-of-plane symmetry and further…
Two-dimensional (2D) intrinsic ferromagnetic semiconductors are expected to stand out in the spintronic field. Recently, the monolayer VI$_{3}$ has been experimentally synthesized but the weak ferromagnetism and low Curie temperature…
Electron-crystal and phonon-glass are regarded as two essential factors for ideal thermoelectric materials, which require both an enhanced electronic transport and a depressed phononic transport. These two characteristics usually can not…
The structural, electronic, and magnetic properties of VSSe, VSeTe, VSTe monolayers in both 2H and 1T phases are investigated via first-principles calculations. The 2H phase is energetically favorable in VSSe and VSeTe, whereas the 1T phase…
Recent experimental studies of out-of-plane straining geometries of transition metal dichalchogenide (TMD) monolayers have demonstrated sufficient band gap renormalisation for device application such as single photon emitters. Here, a…
In this computational work based on density functional theory we study the electronic and electron transport properties of asymmetric multi-layer MoSSe junctions, known as Janus junctions. Focusing on 4-layer systems, we investigate the…
Two-dimensional (2D) materials are a new type of materials under intense study because of their interesting physical properties and wide range of potential applications from nanoelectronics to sensing and photonics. Monolayers of…
Identifying materials that simultaneously straddle the water redox potentials and possess an intrinsic electric field is crucial for achieving high solar-to-hydrogen (STH) efficiency. Using state-of-the-art first-principles calculations,…
Group IV and V monolayers are the promising state-of-the-art 2D materials owing to their high carrier mobility, tunable bandgaps, and optical linear dichroism along with outstanding electronic and thermoelectric properties. Furthermore,…
2D-layered tin (II) oxide (SnO) has recently emerged as a promising bipolar channel material for thin-film transistors and complementary metal-oxide-semiconductor devices. In this work, we present a first-principles investigation of the…
Confinement of the electron gas along one of the spatial directions opens an avenue for studying fundamentals of quantum transport along the side of numerous practical electronic applications, with high-electron-mobility transistors being a…
2D van der Waals ferroelectric semiconductors have emerged as an attractive building block with immense potential to provide multifunctionality in nanoelectronics. Although several accomplishments have been reported in ferroelectric…
Lead and tin chalcogenides have been studied widely due to their promising thermoelectric (TE) properties. Further enhancement in their TE efficiency has been reported upon the reduction of the dimension, which is an important feature in…
Photostriction is predicted for SnS and SnSe monolayers, two-dimensional ferroelectrics with rectangular unit cells (the lattice vector $\mathbf{a}_1$ is larger than $\mathbf{a}_2$) and an intrinsic dipole moment parallel to $\mathbf{a}_1$.…
Structural and electronic properties of pristine and transition metal doped ZnS monolayer are investigated within the framework of density functional theory. The pristine ZnS monolayer is showing direct band gap of about 2.8 eV. The…
The advancement of two-dimensional polar metals tends to be limited by the incompatibility between electric polarity and metallicity as well as dimension reduction. Here, we report polar and metallic Janus monolayers of MoSi$_2$N$_4$ family…
Nonlinear optical materials possess wide applications, ranging from terahertz and mid-infrared detection to energy harvesting. Recently, the correlations between nonlinear optical responses and topological properties, such as Berry…
Monolayers (ML) of Group-6 transition-metal dichalcogenides (TMDs) are semiconducting two-dimensional materials with direct bandgap, showing promising applications in various fields of science and technology, such as nanoelectronics and…
Janus transition metal dichalcogenides (JTMDs) monolayers have emerged as a new paradigm to broaden the family of two-dimensional (2D) materials. Despite numerous theoretical predictions of JTMDs, their experimental realization remains…