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    AuthorSchwingenschlögl, Udo (72)Alshareef, Husam N. (25)Di Fabrizio, Enzo M. (19)Zhang, Xixiang (19)Amassian, Aram (14)View MoreDepartmentPhysical Sciences and Engineering (PSE) Division (206)Materials Science and Engineering Program (201)Computational Physics and Materials Science (CPMS) (63)KAUST Solar Center (KSC) (39)Core Labs (32)View MoreJournalApplied Physics Letters (21)Physical Review B (18)Journal of Applied Physics (12)Scientific Reports (12)Advanced Materials (9)View MoreKAUST Acknowledged Support UnitCenter for Advanced Molecular Photovoltaics (CAMP) (3)Competitive Research Funds (3)Office of Competitive Research Funds (OCRF) (3)Center for Advanced Molecular Photovoltaics (2)Competitive Research Grant" (CRG) (2)View MoreKAUST Grant NumberKUS-11-009-21 (6)KUS-C1-015-21 (5)FIC/2010/02 (2)CRG-1-2012-HUS-008 (1)FIC/2010/04 (1)View MorePatent StatusPublished Application (1)PublisherAIP Publishing (36)Royal Society of Chemistry (RSC) (31)American Physical Society (APS) (23)Springer Nature (23)American Chemical Society (ACS) (22)View MoreSubjectphotovoltaics (5)colloidal quantum dots (4)chemistry (3)Graphene (3)Nanostructures (3)View MoreThesis/Dissertation AdvisorAlshareef, Husam N. (4)Al-Kassab, Talaat (2)Nunes, Suzana Pereira (1)Ooi, Boon S. (1)Schwingenschlögl, Udo (1)Thesis/Dissertation ProgramMaterials Science and Engineering (9)TypeArticle (190)Conference Paper (8)Dissertation (5)Thesis (4)Dataset (2)View MoreYear (Issue Date)
    2013 (210)
    Item AvailabilityMetadata Only (114)Open Access (96)

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    Effect of pH-induced chemical modification of hydrothermally reduced graphene oxide on supercapacitor performance

    Bai, Yaocai; Baby, Rakhi Raghavan; Chen, Wei; Alshareef, Husam N. (Journal of Power Sources, Elsevier BV, 2013-07) [Article]
    Three kinds of reduced graphene oxides are prepared by hydrothermal reduction under different pH conditions and their pseudocapacitive performances are evaluated using full-cell supercapacitor devices. The pH values are found to have great influence on the performance of the supercapacitors, achieving the highest specific capacitance value reported for hydrothermal reduced graphene oxide supercapacitors. Acidic and neutral media yield reduced graphene oxides with more oxygen-functional groups and lower surface areas but with broader pore size distributions than those in basic medium. The graphene produced in the basic solution (nitrogen-doped graphene) presents mainly electrochemical double layer (ECDL) behavior with specific capacitance of 185 F g-1, while the graphene produced under neutral or acidic conditions show both ECDL and pseudocapacitive behavior with specific capacitance of 225 F g-1 (acidic) and 230 F g-1 (neutral), respectively, at a constant current density of 1 A g-1. The influence of pH on cycling performance and electrochemical impedance of the supercapacitive devices is also presented. © 2013 Elsevier B.V. All rights reserved.
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    Pseudo Dirac dispersion in Mn-intercalated graphene on SiC

    Kahaly, M. Upadhyay; Kaloni, Thaneshwor P.; Schwingenschlögl, Udo (Chemical Physics Letters, Elsevier BV, 2013-07) [Article]
    The atomic and electronic structures of bulk C6Mn, bulk C 8Mn, and Mn-intercalated graphene on SiC(0 0 0 1) and SiC(0001̄) are investigated by density functional theory. We find for both configurations of Mn-intercalated graphene a nonmagnetic state, in agreement with the experimental situation for SiC(0 0 0 1), and explain this property. The electronic structures around the Fermi energy are dominated by Dirac-like cones at energies consistent with data from angular resolved photoelectron spectroscopy [Gao et al., ACS Nano. 6 (2012) 6562]. However, our results demonstrate that the corresponding states trace back to hybridized Mn d orbitals, and not to the graphene. © 2013 Elsevier B.V. All rights reserved.
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    Capacitance enhancement of polyaniline coated curved-graphene supercapacitors in a redox-active electrolyte

    Chen, Wei; Baby, Rakhi Raghavan; Alshareef, Husam N. (Nanoscale, Royal Society of Chemistry (RSC), 2013) [Article]
    We show, for the first time, a redox-active electrolyte in combination with a polyaniline-coated curved graphene active material to achieve significant enhancement in the capacitance (36-92% increase) compared to supercapacitors that lack the redox-active contribution from the electrolyte. The supercapacitors based on the redox-active electrolyte also exhibit excellent rate capability and very long cycling performance (>50 000 cycles). This journal is © The Royal Society of Chemistry.
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    Micro-structure Engineering of InGaN/GaN Quantum Wells for High Brightness Light Emitting Devices

    Shen, Chao (2013-05) [Thesis]
    Advisor: Ooi, Boon S.
    Committee members: Bakr, Osman M.; Zhang, Xixiang
    With experimental realization of micro-structures, the feasibility of achieving high brightness, low efficiency droop blue LED was implemented based on InGaN/GaN micro-LED-pillar design. A significantly high current density of 492 A/cm2 in a 20 μm diameter (D) micro-LED-pillar was achieved, compared to that of a 200 μm diameter LED (20 A/cm2), both at 10 V bias voltage. In addition, an increase in sustained quantum efficiency from 70.2% to 83.7% at high injection current density (200 A/cm2) was observed in micro-LED-pillars in conjunction with size reduction from 80 μm to 20 μm. A correlation between the strain relief and the electrical performance improvement was established for micro-LED-pillars with D < 50 μm, apart from current spreading effect. The degree of strain relief and its distribution were further studied in micro-LED-pillars with D ranging from 1 μm to 15 μm. Significant wavenumbers down-shifts for E2 and A1 Raman peaks, together with the blue shifted PL peak emission, were observed in as-prepared pillars, reflecting the degree of strain relief. A sharp transition from strained to relaxed epitaxy region was discernible from the competing E2 phonon peaks at 572 cm-1 and 568 cm-1, which were attributed to strain residue and strain relief, respectively. A uniform strain relief at the center of micro-pillars was achieved, i.e. merging of the competing phonon peaks, after Rapid Thermal Annealing (RTA) at 950℃ for 20 seconds, phenomenon of which was observed for the first time. The transition from maximum strain relief to a uniform strain relief was found along the narrow circumference (< 2.5 μm) of the pillars from the line-map of Raman spectroscopy. The extent of strain relief is also examined considering the height (L) of micro-LED-pillars fabricated using FIB micro-machining technique. The significant strain relief of up to 70% (from -1.4 GPa to -0.37 GPa), with a 71 meV PL peak blue shift, suggested that micro-LED-pillar with D < 3 μm and L > 3 μm in the array configuration would allow the building of practical devices. Overall, this work demonstrated a novel top-down approach to manufacture large effective-area, high brightness emitters for solid-state lighting applications.
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    Tin (Sn) for enhancing performance in silicon CMOS

    Hussain, Aftab M.; Fahad, Hossain M.; Singh, Nirpendra; Sevilla, Galo T.; Schwingenschlögl, Udo; Hussain, Muhammad Mustafa (2013 IEEE 8th Nanotechnology Materials and Devices Conference (NMDC), Institute of Electrical and Electronics Engineers (IEEE), 2013-10) [Conference Paper]
    We study a group IV element: tin (Sn) by integrating it into silicon lattice, to enhance the performance of silicon CMOS. We have evaluated the electrical properties of the SiSn lattice by performing simulations using First-principle studies, followed by experimental device fabrication and characterization. We fabricated high-κ/metal gate based Metal-Oxide-Semiconductor capacitors (MOSCAPs) using SiSn as channel material to study the impact of Sn integration into silicon. © 2013 IEEE.
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    Point defect engineering strategies to retard phosphorous diffusion in germanium

    Tahini, H. A.; Chroneos, Alexander I.; Grimes, Robin W.; Schwingenschlögl, Udo; Bracht, Hartmut A. (Phys. Chem. Chem. Phys., Royal Society of Chemistry (RSC), 2013) [Article]
    The diffusion of phosphorous in germanium is very fast, requiring point defect engineering strategies to retard it in support of technological application. Density functional theory corroborated with hybrid density functional calculations are used to investigate the influence of the isovalent codopants tin and hafnium in the migration of phosphorous via the vacancy-mediated diffusion process. The migration energy barriers for phosphorous are increased significantly in the presence of oversized isovalent codopants. Therefore, it is proposed that tin and in particular hafnium codoping are efficient point defect engineering strategies to retard phosphorous migration. © the Owner Societies 2013.
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    In situ analysis of corrosion inhibitors using a portable mass spectrometer with paper spray ionization

    Jjunju, Fred Paul Mark; Li, Anyin; Badu-Tawiah, Abraham K.; Wei, Pu; Li, Linfan; Ouyang, Zheng; Roqan, Iman S.; Cooks, Robert Graham (The Analyst, Royal Society of Chemistry (RSC), 2013) [Article]
    Paper spray (PS) ambient ionization is implemented using a portable mass spectrometer and applied to the detection of alkyl quaternary ammonium salts in a complex oil matrix. These salts are commonly used as active components in the formulation of corrosion inhibitors. They were identified in oil and confirmed by their fragmentation patterns recorded using tandem mass spectrometry (MS/MS). The cations of alkyl and benzyl-substituted quaternary ammonium salts showed characteristic neutral losses of CnH2n (n carbon number of the longest chain) and C7H8, respectively. Individual quaternary ammonium compounds were detected at low concentrations (&lt;1 ng μL-1) and over a dynamic range of ∼5 pg μL-1 to 500 pg μL-1 (ppb). Direct detection of these compounds in complex oil samples without prior sample preparation or pre-concentration was also demonstrated using a home-built miniature mass spectrometer at levels below 1 ng μL-1.© 2013 The Royal Society of Chemistry.
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    Virtual half-metallicity at the CoS2/FeS2 interface induced by strain

    Nazir, Safdar; Schwingenschlögl, Udo (RSC Advances, Royal Society of Chemistry (RSC), 2013) [Article]
    Spin polarized ab initio calculations based on density functional theory are performed to investigate the electronic and magnetic properties of the interface between the ferromagnetic metal CoS2 and the nonmagnetic semiconductor FeS2. Relaxation of the interface structure is taken into account by atomic force minimization. We find that both Co and Fe are close to half-metallicity at the interface. Tensile strain is shown to strongly enhance the spin polarization so that a virtually half-metallic interface can be achieved, for comparably moderate strain. © 2012 The Royal Society of Chemistry.
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    Superhydrophobic surfaces allow probing of exosome self organization using X-ray scattering

    Accardo, Angelo; Tirinato, Luca; Altamura, Davide; Sibillano, Teresa; Giannini, Cinzia; Riekel, Christian; Di Fabrizio, Enzo M. (Nanoscale, Royal Society of Chemistry (RSC), 2013) [Article]
    Drops of exosome dispersions from healthy epithelial colon cell line and colorectal cancer cells were dried on a superhydrophobic PMMA substrate. The residues were studied by small- and wide-angle X-ray scattering using both a synchrotron radiation micrometric beam and a high-flux table-top X-ray source. Structural differences between healthy and cancerous cells were detected in the lamellar lattices of the exosome macro-aggregates. © 2013 The Royal Society of Chemistry.
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    Thermal oxidation of Ni films for p-type thin-film transistors

    Jiang, Jie; Wang, Xinghui; Zhang, Qing; Li, Jingqi; Zhang, Xixiang (Physical Chemistry Chemical Physics, Royal Society of Chemistry (RSC), 2013) [Article]
    p-Type nanocrystal NiO-based thin-film transistors (TFTs) are fabricated by simply oxidizing thin Ni films at temperatures as low as 400 °C. The highest field-effect mobility in a linear region and the current on-off ratio are found to be 5.2 cm2 V-1 s-1 and 2.2 × 103, respectively. X-ray diffraction, transmission electron microscopy and electrical performances of the TFTs with "top contact" and "bottom contact" channels suggest that the upper parts of the Ni films are clearly oxidized. In contrast, the lower parts in contact with the gate dielectric are partially oxidized to form a quasi-discontinuous Ni layer, which does not fully shield the gate electric field, but still conduct the source and drain current. This simple method for producing p-type TFTs may be promising for the next-generation oxide-based electronic applications. © 2013 the Owner Societies.
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