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Hydrogen radical attacks and subsequent hydrogen migrations are considered to play an important role in the atomic-scale mechanisms of diamond chemical vapour deposition growth. We perform a comprehensive analysis of the reactions involving…
We have previously found experimental evidence for several quantum phenomena in oxygen-ion implanted of hydrogenated graphite: ferromagnetism, antiferromagnetism, paramagentism, triplet superconductivity, Andreev states, Little-Parks…
We report on the structural modifications induced by a lambda = 532 nm ns-pulsed high-power laser on sub-superficial graphitic layers in single-crystal diamond realized by means of MeV ion implantation. A systematic characterization of the…
The Joule heating effect on graphene electronic properties is investigated by using full-band Monte Carlo electron dynamics and three-dimensional heat transfer simulations self-consistently. A number of technologically important substrate…
Three dimensional waveguides within the bulk of diamond are manufactured using ultrafast laser fabrication. High intensities within the focal volume of the laser cause breakdown of the diamond into a graphitic phase leading to a stress…
To understand the crystal structure of n-diamond, a hydrogen-doped (H-doped) diamond model has been investigated using first principles calculations. In particular, hydrogen concentration dependent elastic constants and lattice parameters…
Two-dimensional (2D) materials display nanoscale dynamic ripples that significantly impact their properties. Defects within the crystal lattice are the elementary building blocks to tailor the material's morphology. While some studies have…
A high-current annealing technique is used to fabricate nanogaps and hybrid diamond/graphite structures in boron-doped nanocrystalline diamond films. Nanometer-sized gaps down to 1 nm are produced using a feedback-controlled current…
Numerous experiments showed that on cold compression graphite transforms into a new superhard and transparent allotrope. Several structures with different topologies have been proposed for this phase. While experimental data are consistent…
Modification of interatomic distances due to high pressure leads to exotic phenomena, including metallicity, superconductivity and magnetism, observed in materials not showing such properties in normal conditions. In two-dimensional…
With its host of outstanding material properties, single-crystal diamond is an attractive material for nanomechanical systems. Here, the mechanical resonance characteristics of freestanding, single-crystal diamond nanobeams fabricated by an…
Based on crystal engineering and density functional theory DFT calculations a transformational pathway is proposed from qtz (quartz-based) topology characterized by distorted tetrahedra to dia (diamond-like) regular tetrahedra topology. The…
Graphene, one of the strongest materials ever discovered, triggered the exploration of many 2D materials in the last decade. However, the successful synthesis of a stable nanomaterial requires a rudimentary understanding of the relationship…
The carriers in graphene tuned close to the Dirac point envisage signatures of the strongly interacting fluid and are subject to hydrodynamic description. The important question is whether strong disorder induces the metal-insulator…
Understanding the profile of a qubit's wavefunction is key to its quantum applications. Unlike conducting systems, where a scanning tunneling microscope can be used to probe the electron distribution, there is no direct method for…
We study the dynamics of a first-order phase transition in a strongly coupled gauge theory at non-zero temperature and chemical potential, computing nucleation rates and wall speeds from first principles. The gauge theory is the…
Fracture of materials with rate-dependent mechanical behaviour, e.g. polymers, is a highly complex process. For an adequate modelling, the coupling between rate-dependent stiffness, dissipative mechanisms present in the bulk material and…
Time-dependent density-functional theory simulations are performed to examine the effects of varying incident points and kinetic energies of hydrogen atom projectiles on a graphene-like structure. The simulations reveal that the incident…
We determine the band structure of graphene under strain using density functional calculations. The ab-initio band strucure is then used to extract the best fit to the tight-binding hopping parameters used in a recent microscopic model of…
Characteristic shock effects in silica serve as a key indicator of historical impacts at geological sites. Despite this geological significance, atomistic details of structural transformations under high pressure and shock compression…