Related papers: Chemically induced graphene to diamond transition:…
Synthesis of graphene with reduced use of chemical reagents is essential for manufacturing scale-up and to control its structure and properties. In this paper, we report on a novel chemical-free mechanism of graphene exfoliation from…
Using first-principles calculations we show that the band gap of bilayer sheets of semiconducting transition metal dichalcogenides (TMDs) can be reduced smoothly by applying vertical compressive pressure. These materials undergo a universal…
Diamond is a promising candidate for enhancing the negative-ion surface production in the ion sources for neutral injection in fusion reactors; hence evaluation of its reactivity towards hydrogen plasma is of high importance. High quality…
A recent paper of Dias and Silvera (DS) reports on production of metallic hydrogen in a diamond anvil cell at 495 GPa at 5.5 and 83 K. The results are implied to have a great impact on energy and rocketry. Here we argue that the presented…
Many promising applications of single crystal diamond and its color centers as sensor platform and in photonics require free-standing membranes with a thickness ranging from several micrometers to the few 100 nm range. In this work, we…
Transistors operating at high frequencies are the basic building blocks of millimeter-wave communication and sensor systems. The high velocity and mobility of carriers in graphene can open way for ultra-fast group IV transistors with…
Bilayer graphene has been a subject of intense study in recent years. We extend a structural phase field crystal method to include an external potential from adjacent layer(s), which is generated by the corresponding phase field and changes…
The use of high quality hexagonal boron nitride (hBN) as a dielectric material has made possible the realization of graphene devices with very high mobility. In addition hBN can be made as thin as few atomic layers and, as recently…
We demonstrate that freeing a single-atom thick layer of hexagonal boron nitride (hbn) from tight chemical bonding to a Ni(111) thin film grown on a W(110) substrate can be achieved by intercalation of Au atoms into the interface. This…
The paper presents evidence of a rather strong correlation of odd electrons in the singlet state of graphene. Due to the correlation, the chemical modification of graphene can be considered following a certain algorithmic computational…
The experimental observation of elusive post-diamond carbon phases at extreme pressures remains a major challenge in high-pressure science. Using metadynamics with coordination-number-based collective variables and SNAP machine-learned…
Realization of wafer-scale single-crystal films of transition metal dichalcogenides (TMDs) such as tungsten sulfide requires epitaxial growth and coalescence of oriented domains to form a continuous monolayer. The domains must be oriented…
Graphene on noble-metal nanostructures constitutes an attractive nanocomposite with possible applications in sensors or energy conversion. In this work we study the properties of hybrid graphene/gold nanoparticle structures by Raman…
Moir\'e superlattices formed in stacks of two or more 2D crystals with similar lattice structures have recently become excellent platforms to reveal new physics in low-dimensional systems. They are, however, highly sensitive to the angle…
Since the advent of graphene ushered the era of two-dimensional materials, many forms of hydrogenated graphene have been reported, exhibiting diverse properties ranging from a tunable band gap to ferromagnetic ordering. Patterned…
Despite successful modeling of graphene as a 0.34-nm thick optical film synthesized by exfoliation or chemical vapor deposition (CVD), graphene induced shift of surface plasmon resonance (SPR) of gold films has remained controversial. Here…
We reported the first observation of metallic hydrogen (MH) in the low temperature limit at a pressure of ~495 GPa in an article published in Science (1). This transition was first predicted by Wigner and Huntington (WE) over 80 years ago…
By using molecular dynamics simulation, formation mechanisms of amorphous carbon in particular sp${}^3$ rich structure was researched. The problem that reactive empirical bond order potential cannot represent amorphous carbon properly was…
Using first-principles calculations, we show that the formation of carbohydrate directly from carbon and water is energetically favored when graphene membrane is subjected to aqueous environment with difference in chemical potential across…
Recent work investigated graphene's hydrogenation with independent control of the electric field, E, and charge density, n, in the crystal and showed that the process is controlled by n. Here, we demonstrate layer-selective…