Browsing Physics (Scholarly Publications) by Sponsor "European Research Council (ERC)"
Now showing items 1-20 of 21
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Ab Initio and Kinetic Modeling of β-d-Xylopyranose under Fast Pyrolysis Conditions
(2024)Lignocellulosic biomass is an abundant renewable resource that can be upgraded to chemical and fuel products through a range of thermal conversion processes. Fast pyrolysis is a promising technology that uses high temperatures ... -
All-printed capacitors from graphene-BN-graphene nanosheet heterostructures
(2016)This work aims to develop methodologies to print pinhole-free, vertically stacked heterostructures by sequential deposition of conductive graphene and dielectric h-BN nanosheet networks. We achieve this using a combination ... -
Chapter 16: The structure of liquid foams
(CRC Press, 2018) -
Covalently functionalized hexagonal boron nitride nanosheets by nitrene addition
(Wiley, 2012)Exfoliated h-BN nanosheets were covalently functionalized via a one-step nitrene addition using azide precursor molecules. Functionalized h-BN nanosheets were found to exhibit markedly enhanced dispersability relative to ... -
Effect of insertion layer on electrode properties in magnetic tunnel junctions with a zero-moment half-metal
(2019)Due to its negligible spontaneous magnetization, high spin polarization and giant perpendicular magnetic anisotropy, Mn2RuxGa (MRG) is an ideal candidate as an oscillating layer in THz spin-transfertorque nano-oscillators. ... -
Hydrogen evolution across nano-Schottky junctions at carbon supported MoS 2 catalysts in biphasic liquid systems
(2012)The activities of a series of MoS 2-based hydrogen evolution catalysts were studied by biphasic reactions monitored by UV/Vis spectroscopy. Carbon supported MoS 2 catalysts performed best due to an abundance of catalytic ... -
Liquid Exfoliation of Layered Materials
(2013)Not all crystals form atomic bonds in three dimensions. Layered crystals, for instance, are those that form strong chemical bonds in-plane but display weak out-of-plane bonding. This allows them to be exfoliated into ... -
Liquid phase exfoliation of GeS nanosheets in ambient conditions for lithium ion battery applications
(2020)The propensity of many 2D materials to oxidize in ambient conditions can complicate production and limit applications potential. Here we describe ambient liquid phase exfoliation of GeS, a layered material known for its ... -
Machine learning density functional theory for the Hubbard model
(2019)The solution of complex many-body lattice models can often be found by defining an energy functional of the relevant density of the problem. For instance, in the case of the Hubbard model the spin-resolved site occupation is ... -
Machine-learning semilocal density functional theory for many-body lattice models at zero and finite temperature
(2021)We introduce a machine-learning density-functional-theory formalism for the spinless Hubbard model in one dimension at both zero and finite temperature. In the zero-temperature case this establishes a one-to-one ... -
Magnetic control over the fractal dimension of supramolecular rod networks
(2021)Controlling supramolecular polymerization is of fundamental importance to create advanced materials and devices. Here we show that the thermodynamic equilibrium of Gd3+-bearing supramolecular rod networks is shifted ... -
Microscopic mechanism of electron transfer through the hydrogen bonds between carboxylated alkanethiol molecules connected to gold electrodes
(2014)The atomic structure and the electron transfer properties of hydrogen bonds formed between two carboxylated alkanethiol molecules connected to gold electrodes are investigated by employing the non-equilibrium Green's ... -
Microscopic origin of the 1.3 G0 conductance observed in oxygen-doped silver quantum point contacts
(2014)Besides the peak at one conductance quantum, G0, two additional features at ∼0.4 G0 and ∼1.3 G0 have been observed in the conductance histograms of silver quantum point contacts at room temperature in ambient conditions. ... -
Orbital Mott transition in two dimensional pyrochlore lattice
(2020)We study orbital Mott transition in two dimensional pyrochlore lattice, using a two orbital Hubbard model with only inter-orbital electronic hopping. We use a real space Monte Carlo based approach to study the model at ... -
Oxygen radical functionalization of boron nitride nanosheets
(2012)The covalent chemical functionalization of exfoliated hexagonal boron-nitride nanosheets (BNNSs) is achieved by the solution phase oxygen radical functionalization of boron atoms in the h-BN lattice. This involves a two-step ... -
Percolation scaling in composites of exfoliated MoS 2 filled with nanotubes and graphene
(2012)Applications of films of exfoliated layered compounds in many areas will be limited by their relatively low electrical conductivity. To address this, we have prepared and characterised composites of a nano-conductor ... -
Relating the optical absorption coefficient of nanosheet dispersions to the intrinsic monolayer absorption
(2016)The concentration of nanosheet suspensions is an important technological parameter which is commonly measured by optical spectroscopy, using the absorption coefficient to transform absorbance into concentration. However, ... -
Transition voltages of vacuum-spaced and molecular junctions with Ag and Pt electrodes
(2014)The transition voltage of vacuum-spaced and molecular junctions constructed with Ag and Pt electrodes is investigated by non-equilibrium Green's function formalism combined with density functional theory. Our calculations ...