Related papers: Group-IV Pentaoctite: A New 2D Material Family
Electronic correlations could have significant impact on the material properties. They are typically pronounced for localized orbitals and enhanced in low-dimensional systems, so two-dimensional (2D) transition metal compounds could be a…
Based on first-principles calculations combined with theoretical analysis, we identify a family of monolayer chromium-based group-IV chalcogenides as a new class of two-dimensional (2D) magnetic higher-order topological insulators (HOTIs).…
Polonium (Z = 84) is one of the rarest elements on Earth. More than a century after its discovery, its chemistry remains poorly known and even basic questions are not yet satisfactorily addressed. In this work, we perform a systematic study…
MAB phases (MABs) are atomically-thin laminates of ceramic/metallic-like layers, having made a breakthrough in the development of 2D materials. Though theoretically offering a vast chemical and phase space, relatively few MABs have yet been…
Two-dimensional (2D) layered nanomaterials heterostructures, arising from the combination of 2D materials with other low-dimensional species, feature large surface area to volume ratio, which provides a high density of active sites for…
Two dimensional (2D) semiconducting light absorbers, have recently considered as promising components to improve the efficiency in the photocatalytic hydrogen production via water splitting. In this work, by employing density functional…
By using ab inito calculations within Density Functional Theory, we have explored the possible structures and various properties of porous AlN monolayer materials. Two kinds of porous AlN monolayer are identified, and the phonon dispersion…
We describe a new type of spatially periodic structure (lattice models): a polaritonic crystal (PolC) formed by a two-dimensional lattice of trapped two-level atoms interacting with quantised electromagnetic field in a cavity (or in a…
Dirac points in two-dimensional (2D) materials have been a fascinating subject of research, with graphene as the most prominent example. However, the Dirac points in existing 2D materials, including graphene, are vulnerable against…
Recently, heavily doped semiconductors are emerging as an alternate for low loss plasmonic materials. InN, belonging to the group III nitrides, possesses the unique property of surface electron accumulation (SEA) which provides two…
We perform first-principles calculations to explore electronic, thermodynamic, and dielectric properties of two-dimensional (2D) layered, alkaline-earth hydroxides Ca(OH)2 and Mg(OH)2. We calculate the lattice parameters, exfoliation…
Highly efficient, environmental friendly and renewable sources of energy are of great need today to combat with increasing energy demands and environmental pollution. In this work, we have investigated the novel 2D allotropes i.e.,…
DFT and AIMD are used to investigate the structural, stability, electronic, thermal, and optical properties of the quasi-2D C2N2O structure. The structure exhibits thermal and energy stability, signifying robustness under ambient…
With the reported synthesis of a fully planar 2D silicon carbide (SiC) allotrope, the possibilities of its technological applications are enormous. Recently, several authors have computationally studied the structures and electronic…
Mo2P as a new member of the advancing two-dimensional (2D) materials family has been theoretically identified in this study. We conducted extensive density functional theory calculations to explore the crystal structure, dynamical…
The objective of our research is to investigate the electrocatalytic properties of novel metal-free quantum dots (QDs) composed of the recently discovered 2D material penta-CN2, with the aim of replacing costly and scarce catalysts such as…
Penta-graphene is the name given to a novel puckered monolayer of carbon atoms tightly packed into an inerratic pentagonal network, theoretically, which exhibits excellent thermal and mechanical stability and can be rolled into…
We report the numerical realization and demonstration of robustness of certain 2-component structures in Bose-Einstein Condensates in 2 and 3 spatial dimensions with non-trivial topological charge in one of the components. In particular, we…
Compared to the intensive investigation on the 3d transition-metal (TM)-based spin ladder compounds, less attention has been paid to the ones constructed by the rare-earth (RE) ions. Herein, we report a family of RE-based spin ladder…
Recently synthesized novel phase of germanium selenide ({\gamma}-GeSe) adopts a hexagonal lattice and a surprisingly high conductivity than graphite. This triggers great interests in exploring its potential for thermoelectric applications.…