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      • Edge Structures for Nanoscale Graphene Islands on Co(0001) Surfaces

        Prezzi, Deborah,Eom, Daejin,Rim, Kwang T.,Zhou, Hui,Lefenfeld, Michael,Xiao, Shengxiong,Nuckolls, Colin,Heinz, Tony F.,Flynn, George W.,Hybertsen, Mark S. American Chemical Society 2014 ACS NANO Vol.8 No.6

        <P>Low-temperature scanning tunneling microscopy measurements and first-principles calculations are employed to characterize edge structures observed for graphene nanoislands grown on the Co(0001) surface. Images of these nanostructures reveal straight well-ordered edges with zigzag orientation, which are characterized by a distinct peak at low bias in tunneling spectra. Density functional theory based calculations are used to discriminate between candidate edge structures. Several zigzag-oriented edge structures have lower formation energy than armchair-oriented edges. Of these, the lowest formation energy configurations are a zigzag and a Klein edge structure, each with the final carbon atom over the hollow site in the Co(0001) surface. In the absence of hydrogen, the interaction with the Co(0001) substrate plays a key role in stabilizing these edge structures and determines their local conformation and electronic properties. The calculated electronic properties for the low-energy edge structures are consistent with the measured scanning tunneling images.</P><P><B>Graphic Abstract</B> <IMG SRC='http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/ancac3/2014/ancac3.2014.8.issue-6/nn500583a/production/images/medium/nn-2014-00583a_0008.gif'></P><P><A href='http://pubs.acs.org/doi/suppl/10.1021/nn500583a'>ACS Electronic Supporting Info</A></P>

      • Estimation of the Small-Strain Stiffness of Clean and Silty Sands using Stress-Strain Curves and CPT Cone Resistance

        Lee, Junhwan,Kyung, Doohyun,Kim, Bumjoo,Prezzi, Monica Elsevier 2009 Soils and foundations Vol.49 No.4

        <P><B>ABSTRACT</B></P> <P>The initial, linear elastic range of a soil stress-strain curve is often defined by the small-strain elastic modulus <I>E</I> <SUB>0</SUB> or shear modulus <I>G</I> <SUB>0</SUB>. In the present study, simpler and effective methods are proposed for the estimation of the small-strain stiffness of clean and silty sands; these are based on triaxial compression test results and the CPT cone resistance <I>q</I> <SUB>c</SUB>. In the method based on stress-strain curves obtained from triaxial compression tests, an extrapolation technique is adopted within the small-strain range of a transformed stress-strain curve to obtain estimates of the small-strain elastic modulus. Calculated small-strain elastic modulus values were compared with the values measured using bender element tests performed on clean sands and sands containing nonplastic fines. The results showed that the method proposed produces satisfactory estimates of the small-strain elastic modulus for practical purposes. In the CPT-based method, two <I>G</I> <SUB>0</SUB>-<I>q</I> <SUB>c</SUB> correlations available in the literature were evaluated. For isotropic conditions, both correlations produced reasonably good estimates of <I>G</I> <SUB>0</SUB> for clean sands but overestimated it for silty sands. A <I>G</I> <SUB>0</SUB>-<I>q</I> <SUB>c</SUB> correlation which is proposed takes into account the effect of silt content of the sand and stress anisotropy.</P>

      • Connecting Dopant Bond Type with Electronic Structure in N-Doped Graphene

        Schiros, Theanne,Nordlund, Dennis,Pá,lová,, Lucia,Prezzi, Deborah,Zhao, Liuyan,Kim, Keun Soo,Wurstbauer, Ulrich,Gutié,rrez, Christopher,Delongchamp, Dean,Jaye, Cherno,Fischer, Daniel American Chemical Society 2012 Nano letters Vol.12 No.8

        <P>Robust methods to tune the unique electronic properties of graphene by chemical modification are in great demand due to the potential of the two dimensional material to impact a range of device applications. Here we show that carbon and nitrogen core-level resonant X-ray spectroscopy is a sensitive probe of chemical bonding and electronic structure of chemical dopants introduced in single-sheet graphene films. In conjunction with density functional theory based calculations, we are able to obtain a detailed picture of bond types and electronic structure in graphene doped with nitrogen at the sub-percent level. We show that different N-bond types, including graphitic, pyridinic, and nitrilic, can exist in a single, dilutely N-doped graphene sheet. We show that these various bond types have profoundly different effects on the carrier concentration, indicating that control over the dopant bond type is a crucial requirement in advancing graphene electronics.</P><P><B>Graphic Abstract</B> <IMG SRC='http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/nalefd/2012/nalefd.2012.12.issue-8/nl301409h/production/images/medium/nl-2012-01409h_0005.gif'></P><P><A href='http://pubs.acs.org/doi/suppl/10.1021/nl301409h'>ACS Electronic Supporting Info</A></P>

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