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McCarty, Kevin F.

Publications and source records attributed to McCarty, Kevin F..

At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Oxygen-activated growth and bandgap tunability of large single-crystal bilayer graphene

Bernal (AB)-stacked bilayer graphene (BLG) is a semiconductor whose bandgap can be tuned by a transverse electric field, making it a unique material for a number of electronic and photonic devices. A scalable approach to synthesize high-quality BLG is therefore critical, which requires minimal crystalline defects in both graphene layers and maximal area of Bernal stacking, which is necessary for bandgap tunability. Here we demonstrate that in an oxygen-activated chemical vapour deposition (CVD) process, half-millimetre size, Bernal-stacked BLG single crystals can be synthesized on Cu. Besides the traditional 'surface-limited' growth mechanism for SLG (1st layer), we discovered new microscopic steps governing the growth of the 2nd graphene layer below the 1st layer as the diffusion of carbon atoms through the Cu bulk after complete dehydrogenation of hydrocarbon molecules on the Cu surface, which does not occur in the absence of oxygen. Moreover, we found that the efficient diffusion of the carbon atoms present at the interface between Cu and the 1st graphene layer further facilitates growth of large domains of the 2nd layer. The CVD BLG has superior electrical quality, with a device on/off ratio greater than 104, and a tunable bandgap up to -100 meV at a displacement field of 0.9 V nm-1.

14 SOLAR ENERGY↗
DOE OSTI2015

Quantum mechanical studies of carbon structures

Carbon nanostructures, such as nanotubes and graphene, are of considerable interest due to their unique mechanical and electrical properties. The materials exhibit extremely high strength and conductivity when defects created during synthesis are minimized. Atomistic modeling is one technique for high resolution studies of defect formation and mitigation. To enable simulations of the mechanical behavior and growth mechanisms of C nanostructures, a high-fidelity analytical bond-order potential for the C is needed. To generate inputs for developing such a potential, we performed quantum mechanical calculations of various C structures.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Predicting growth of graphene nanostructures using high-fidelity atomistic simulations

In this project we developed the atomistic models needed to predict how graphene grows when carbon is deposited on metal and semiconductor surfaces. We first calculated energies of many carbon configurations using first principles electronic structure calculations and then used these energies to construct an empirical bond order potentials that enables comprehensive molecular dynamics simulation of growth. We validated our approach by comparing our predictions to experiments of graphene growth on Ir, Cu and Ge. The robustness of our understanding of graphene growth will enable high quality graphene to be grown on novel substrates which will expand the number of potential types of graphene electronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Real-time observation of epitaxial graphene domain reorientation

Graphene films grown by vapour deposition tend to be polycrystalline due to the nucleation and growth of islands with different in-plane orientations. Here, using low-energy electron microscopy, we find that micron-sized graphene islands on Ir(111) rotate to a preferred orientation during thermal annealing. We observe three alignment mechanisms: the simultaneous growth of aligned domains and dissolution of rotated domains, that is, ‘ripening’; domain boundary motion within islands; and continuous lattice rotation of entire domains. By measuring the relative growth velocity of domains during ripening, we estimate that the driving force for alignment is on the order of 0.1 meV per C atom and increases with rotation angle. A simple model of the orientation-dependent energy associated with the moiré corrugation of the graphene sheet due to local variations in the graphene–substrate interaction reproduces the results. This study suggests new strategies for improving the van der Waals epitaxy of 2D materials.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Influence of lattice orientation on growth and structure of graphene on Cu(001)

We have used low-energy electron microscopy (LEEM) and diffraction (LEED) to examine the significance of lattice orientation in graphene growth on Cu(0 0 1). Individual graphene domains undergo anisotropic growth on the Cu surface, and develop into lens shapes with their long axes roughly aligned with Cu <1 0 0> in-plane directions. Furthermore, the long axis of a lens-shaped domain is only rarely oriented along a C <1 1> direction, suggesting that carbon attachment at “zigzag” graphene island edges is unfavorable. A kink-mediated adatom attachment process is consistent with the behavior observed here and reported in the literature. Likewise, the details of the ridged moiré pattern formed by the superposition of the graphene lattice on the (0 0 1) Cu surface also evolve with the graphene lattice orientation, and are predicted well by a simple geometric model. Managing the kink-mediated growth mode of graphene on Cu(0 0 1) will be necessary for the continued improvement of this graphene synthesis technique.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Room temperature in-plane 〈100〉 magnetic easy axis for Fe{sub 3}O{sub 4}/SrTiO{sub 3}(001):Nb grown by infrared pulsed laser deposition

We examine the magnetic easy-axis directions of stoichiometric magnetite films grown on SrTiO{sub 3}:Nb by infrared pulsed-laser deposition. Spin-polarized low-energy electron microscopy reveals that the individual magnetic domains are magnetized along the in-plane 〈100〉 film directions. Magneto-optical Kerr effect measurements show that the maxima of the remanence and coercivity are also along in-plane 〈100〉 film directions. This easy-axis orientation differs from bulk magnetite and films prepared by other techniques, establishing that the magnetic anisotropy can be tuned by film growth.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Probing surface & transport phenomena in energy materials under operating conditions

Efficient conversion of energy between sunlight, chemical bonds, and electricity is crucial towards a closed-loop energy cycle. We have applied synchrotron-based X ray spectroscopy and microscopy techniques to investigate the conversion of electricity to and from chemical bonds in fuel cells, electrolyzers, and intercalation batteries. Using these techniques, we have tracked the motions from electrons, oxygen ions, and lithium ions at interfaces and in the bulk of electrochemically-active materials. New insights in gas-solid surface electrochemistry, and solid-solid phase transformation are guiding the development of better materials for a wide range of energy conversion and storage devices.

Chueh, William↗