Related papers: Perspective on first-principles studies of 2D mate…
The potential of graphene for use in photonic applications was evidenced by recent demonstrations of modulators, polarisation rotators, and isolators. These promising yet preliminary results raise crucial questions: what is the optimal…
Through learning from past literature, artificial intelligence models have been able to predict the future applications of various stoichiometric inorganic materials in a variety of subfields of materials science. This capacity offers…
First principles calculations of magnetic and, to a lesser extent, electronic properties of the novel LaFeAsO-based superconductors show substantial apparent controversy, as opposed to most weakly or strongly correlated materials. Not only…
With many fantastic properties, memristive devices have been proposed as top candidate for next-generation memory and neuromorphic computing chips. Significant research progresses have been made in improving performance of individual…
Unlike conventional two-dimensional (2D) semiconductor superlattices, moir\'{e} patterns in 2D materials are flexible and their electronic, magnetic, optical, and mechanical properties depend on their topography. Within a…
Two-dimensional (2D) materials are frequently associated with the sheets which form bulk layered compounds bonded by van der Waals (vdW) forces. The anisotropy and weak interaction between the sheets have also been the main criteria in the…
Nobel Prize in Physics 2010 was given for "groundbreaking experiments regarding the two-dimensional material graphene." In fact, before graphene has been extracted from graphite and measured, some of its fundamental physical properties have…
Understanding excitonic effects in two-dimensional (2D) materials is critical for advancing their potential in next-generation electronic and photonic devices. In this study, we introduce a machine learning (ML)-based framework to predict…
The advent of two-dimensional metamaterials in recent years has ushered in a revolutionary means to manipulate the behavior of light on the nanoscale. The effective parameters of these architected materials render unprecedented control over…
Modeling reflections from 2D images is essential for photorealistic rendering and novel view synthesis. Recent approaches enhance Gaussian primitives with reflection-related material attributes to enable physically based rendering (PBR)…
Since the discovery of graphene, two-dimensional (2D) materials have paved a new routine for designing high-performance nanoelectronic devices. To facilitate the device applications, there are three key requirements for a material: sizeable…
Fundamental research on two-dimensional (2D) magnetic systems based on van der Waals materials has been gaining traction rapidly since their recent discovery. With the increase of recent knowledge, it has become clear that such materials…
Ubiquitous graphene is a stricly 2D material representing an ideal adsorbing platform due to its large specific surface area as well as its mechanical strength and resistance to both thermal and chemical stresses. However, graphene as a…
The scientific community has witnessed an exponential increase in the applications of graphene and graphene-based materials in a wide range of fields. For what concerns neuroscience, the interest raised by these materials is two-fold. On…
Implementing new materials as alternative to silicon for application in photonic devices has been the center of attention in the scientific community. Two-Dimensional (2D) materials have shown a great capacity to be next alternative to…
The C2DB is a highly curated open database organizing a wealth of computed properties for more than 4000 atomically thin two-dimensional (2D) materials. Here we report on new materials and properties that were added to the database since…
We use molecular dynamics simulation to study the exfoliation of graphene and fluorographene in molecular and ionic liquids, by performing computer experiments in which one layer of the 2D nanomaterial is peeled from a stack, in vacuum and…
Fabrication of graphene structures has triggered vast research efforts focused on the properties of two-dimensional systems with massless Dirac fermions. Nevertheless, further progress in exploring this quantum electrodynamics system in…
In this article we review results of computer simulation of glasses carried out using first principles approaches, notably density functional theory. We start with a brief introduction to this method and compare the pros and cons of this…
The integration of machine learning techniques in materials discovery has become prominent in materials science research and has been accompanied by an increasing trend towards open-source data and tools to propel the field. Despite the…