@article{paul_yeh_maitra_lin_kerber_kulkarni_jagannathan_basker_miller_bu_2010, title={Extraction of Effective Oxide Thickness for SOI FINFETs With High-kappa/Metal Gates Using the Body Effect}, volume={31}, ISSN={["1558-0563"]}, DOI={10.1109/led.2010.2049634}, abstractNote={A methodology based on the transistor body effect is used to monitor inversion oxide thicknesses (Tinv's) in high-κ/metal-gate undoped ultrathin-body short-channel SOI FINFETs. The extracted Tinv's are benchmarked to independent capacitance-voltage (C-V) measurements. For the first time, device simulation is introduced to understand the fundamental difference in Tinv values extracted using the two techniques, which is driven by the inversion charge centroid at different bias conditions.}, number={7}, journal={IEEE ELECTRON DEVICE LETTERS}, author={Paul, Sujata and Yeh, Frank and Maitra, Kingsuk and Lin, Chung-Hsun and Kerber, Andreas and Kulkarni, Pranita and Jagannathan, Hemanth and Basker, Veeraraghavan S. and Miller, Robert J. and Bu, Huiming}, year={2010}, month={Jul}, pages={650–652} }
 @article{borysenko_mullen_barry_paul_semenov_zavada_nardelli_kim_2010, title={First-principles analysis of electron-phonon interactions in graphene}, volume={81}, ISSN={1098-0121 1550-235X}, url={http://dx.doi.org/10.1103/PhysRevB.81.121412}, DOI={10.1103/physrevb.81.121412}, abstractNote={The electron-phonon interaction in monolayer graphene is investigated using density-functional perturbation theory. The results indicate that the electron-phonon interaction strength is of comparable magnitude for all four in-plane phonon branches and must be considered simultaneously. Moreover, the calculated scattering rates suggest an acoustic-phonon contribution that is much weaker than previously thought, revealing an important role of optical phonons even at low energies. Accordingly it is predicted, in good agreement with a recent measurement, that the intrinsic mobility of graphene may be more than an order of magnitude larger than the already high values reported in suspended samples.}, number={12}, journal={Physical Review B}, publisher={American Physical Society (APS)}, author={Borysenko, K. M. and Mullen, J. T. and Barry, E. A. and Paul, S. and Semenov, Y. G. and Zavada, J. M. and Nardelli, M. Buongiorno and Kim, K. W.}, year={2010}, month={Mar} }
 @article{paul_nardelli_2010, title={Rational computational design of optimal catalytic surfaces}, volume={97}, ISSN={["0003-6951"]}, DOI={10.1063/1.3525372}, abstractNote={Using calculations from first-principles based on density functional theory, we introduce an innovative concept for the design of catalysts based on the tuning of the surface properties by progressive layering of thin metal films on an oxide support, where the substrate is substantially exploited as an active design element for the tuning of the reactivity of the metallic surface. We demonstrate this idea by studying the adsorption and activation properties of CO2 on Pd and oxide-supported Pd thin films.}, number={23}, journal={APPLIED PHYSICS LETTERS}, author={Paul, Sujata and Nardelli, Marco Buongiorno}, year={2010}, month={Dec} }
 @article{paul_santiso_nardelli_2009, title={Sequestration and selective oxidation of carbon monoxide on graphene edges}, volume={21}, ISSN={["1361-648X"]}, DOI={10.1088/0953-8984/21/35/355008}, abstractNote={The versatility of carbon nanostructures makes them attractive as possible catalytic materials, as they can be synthesized in various shapes and chemically modified by doping, functionalization, and the creation of defects in the nanostructure. Recent research has shown how the properties of carbon nanostructures can be exploited to enhance the yield of chemical reactions such as the thermal decomposition of water (Kostov et al 2005 Phys. Rev. Lett. 95) and the dissociation of methane into carbon and hydrogen (Huang et al 2008 J. Chem. Phys. at press). In this work, we consider the carbon-mediated partial sequestration and selective oxidation of carbon monoxide (CO), both in the presence and absence of hydrogen. Using first-principles calculations we study several reactions of CO with carbon nanostructures, where the active sites can be regenerated by the deposition of carbon decomposed from the reactant (CO) to make the reactions self-sustained. Using statistical mechanics, we also study the conditions under which the conversion of CO to graphene and carbon dioxide is thermodynamically favorable, both in the presence and in the absence of hydrogen. These results are a first step toward the development of processes for the carbon-mediated partial sequestration and selective oxidation of CO in a hydrogen atmosphere.}, number={35}, journal={JOURNAL OF PHYSICS-CONDENSED MATTER}, author={Paul, Sujata and Santiso, Erik E. and Nardelli, Marco Buongiorno}, year={2009}, month={Sep} }