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Ab initio calculations within the density-functional theory formalism are performed to investigate the ground state, electric charge doping, and electronic properties of titanium and titanium dioxide monolayers adsorbed on a graphene…

Materials Science · Physics 2013-01-17 Jozef Sivek , Ortwin Leenaerts , Bart Partoens , Francois Peeters

Titanium-based oxides are abundant, chemically stable, non-toxic, and highly versatile materials, with applications ranging from photovoltaics to catalysis. For rutile and anatase phases of Titanium dioxide (TiO2), the bandgap ranges from…

Materials Science · Physics 2022-01-04 Lynet Allan , George O Amolo , Julius Mwabora , Silas Mureramanzi

In recent years, various doping methods for epitaxial graphene have been demonstrated through atom substitution and adsorption. Here we observe by angle-resolved photoemission spectroscopy (ARPES) a coupling-induced Dirac cone…

We investigate the effects of transition metals (TM) on the electronic doping and scattering in graphene using molecular beam epitaxy combined with in situ transport measurements. The room temperature deposition of TM onto graphene produces…

Mesoscale and Nanoscale Physics · Physics 2010-01-20 K. Pi , K. M. McCreary , W. Bao , Wei Han , Y. F. Chiang , Yan Li , S. -W. Tsai , C. N. Lau , R. K. Kawakami

Titanium (Ti) is an adhesion and contact metal commonly used in nanoelectronics and two-dimensional (2D) materials research. However, when Ti is deposited on graphene (Gr), we obtain dramatically different film morphology depending on the…

The electronic transport properties of single layer graphene having a dilute coating of indium adatoms has been investigated. Our studies establish that isolated indium atoms donate electrons to graphene and become a source of charged…

Mesoscale and Nanoscale Physics · Physics 2019-12-11 U. Chandni , Erik A. Henriksen , J. P. Eisenstein

The deposition of a thin oxide layer at metal/semiconductor interfaces has been previously reported as a means of reducing contact resistance in 2D electronics. Using X-ray photoelectron spectroscopy with in-situ Ti deposition, we fabricate…

Materials Science · Physics 2019-10-10 Keren M. Freedy , David H. Olson , Patrick E. Hopkins , Stephen J. McDonnell

This study reports on the properties of nitrogen doped titanium dioxide $TiO_2$ thin films considering the application as transparent conducting oxide (TCO). Sets of thin films were prepared by sputtering a titanium target under oxygen…

We demonstrate the atomic layer deposition of high-quality HfO2 film on graphene and report the magnitude of remote oxide phonon (ROP) scattering in dual-oxide graphene transistors. Top gates with 30 nm HfO2 oxide layer exhibit excellent…

Materials Science · Physics 2010-09-17 Ke Zou , Xia Hong , Derek Keefer , Jun Zhu

Graphene and carbon nanotubes have extraordinary mechanical and electronic properties. Intrinsic line defects such as local non-hexagonal reconstructions or grain boundaries, however, significantly reduce the tensile strength, but feature…

Materials Science · Physics 2016-07-20 Daniel Berger , Christian Ratsch

The promising thermoelectric material TiS$_2$ can be easily chemically doped and intercalated. We present here studies of single crystals that are intercalated with excess Ti or Co, or substituted with Ta. We demonstrate the intrinsic…

Using micro-Raman spectroscopy and scanning tunneling microscopy, we study the relationship between structural distortion and electrical hole doping of graphene on a silicon dioxide substrate. The observed upshift of the Raman G band…

Materials Science · Physics 2012-01-23 Sunmin Ryu , Li Liu , Stephane Berciaud , Young-Jun Yu , Haitao Liu , Philip Kim , George W. Flynn , Louis E. Brus

A two-dimensional layer of oxide reveals itself as a essential element to drive the photocatalytic activity in a nanostructured hybrid material, which combines high-quality epitaxial graphene and titanium dioxide nanoparticles. In…

Based on first principles calculation, the electronic properties of graphene on metal (Ti, Ca, Ni, Mn, Co, Fe, Cr, K) modified SiO2 substrate have been studied. The results of binding energies supported graphene indicate that the metal…

Mesoscale and Nanoscale Physics · Physics 2012-03-02 L. Shen , F. Jiang , M. Xiao , R. Zhang , M. X. Yu , L. Miao , J. J. Jiang

The effect of monolayers of oxygen (O) and hydrogen (H) on the possibility of material transfer at aluminium/titanium nitride (Al/TiN) and copper/diamond (Cu/C$_{\text{dia}}$) interfaces, respectively, were investigated within the framework…

Materials Science · Physics 2018-03-14 Gregor Feldbauer , Michael Wolloch , Pedro O. Bedolla , Josef Redinger , András Vernes , Peter Mohn

Effect of Ti doping on the electrical transport and magnetic properties of layered Na0.8Co1-xTixO2 compounds has been investigated. The lattice parameters a and c increase with x. A minor amount of Ti doping results in a metal-insulator…

Strongly Correlated Electrons · Physics 2009-11-11 W. Y. Zhang , Y. G. Zhao , Z. P. Guo , P. T. Qiao , L. Cui , L. B. Luo , X. P. Zhang , H. C. Yu , Y. G. Shi , S. Y. Zhang , T. Y. Zhao , J. Q. Li

In this work, we present a systematic DFT investigation of the interaction between B-doped graphene and four selected metals: Mg and Zn, relevant for next-generation metal-ion batteries, and Cu and Pt, important for single-atom catalysis.…

Materials Science · Physics 2026-03-17 Nikola Veličković , Natalia V. Skorodumova , Ana S. Dobrota

We study the effects of metallic doping on the electronic properties of graphene using density functional theory in the local density approximation in the presence of a local charging energy (LDA+U). The electronic properties are sensitive…

Materials Science · Physics 2009-11-13 B. Uchoa , C. -Y. Lin , A. H. Castro Neto

A comparative study of the electrical and optical properties has been done on 3d-doped TiO$_2$. Ti$_{1-x}$M$_x$O$_2$ (M= Sc, V, Cr, Mn, Fe, Co, Ni, Cu, Zn) powder and its corresponding pellets, with doping concentration $x= 0.05$. The…

Materials Science · Physics 2022-10-24 Shashi Pandey , Alok Shukla , Anurag Tripathi

Using first-principles calculations based on density functional theory and non-equilibrium Green's functions, we characterized the effect of surface termination on the electronic transport properties of nanoscale Cu slabs. With ideal, clean…

Materials Science · Physics 2018-05-07 David M. Guzman , Alejandro Strachan
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