Search Results - "de Coss, R"

Ti4- and Ni4‑Doped Defective Graphene Nanoplatelets as Efficient Materials for Hydrogen Storage by Ramos-Castillo, C. M, Reveles, J. U, Cifuentes-Quintal, M. E, Zope, R. R, de Coss, R

“…We report a detailed theoretical investigation of the structural and electronic properties of titanium- and nickel-doped defective graphene nanoplatelets,…”
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Landau levels in uniaxially strained graphene: A geometrical approach by Betancur-Ocampo, Y., Cifuentes-Quintal, M.E., Cordourier-Maruri, G., de Coss, R.

“…The effect of strain on the Landau levels (LLs) spectra in graphene is studied, using an effective Dirac-like Hamiltonian which includes the distortion in the…”
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Palladium Clusters Supported on Graphene Monovacancies for Hydrogen Storage by Ramos-Castillo, C.M, Reveles, J.U, Zope, R.R, de Coss, R

“…We give a detailed description of the atomic structure and the energetics of H2 adsorption on Pd n (n = 1–4) clusters supported on graphene monovacancies. The…”
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Density functional study of the metallization of a linear carbon chain inside single wall carbon nanotubes by Tapia, A., Aguilera, L., Cab, C., Medina-Esquivel, R.A., de Coss, R., Canto, G.

“…By means of the density functional theory, we studied the relaxed structure and electronic properties of new one-dimensional carbon nanostructures conformed by…”
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Surface magnetism in vanadium overlayers on W(100) by Rubio-Ponce, A., Olguín, D., Aguayo, A., de Coss, R.

“…•Localized surface magnetism in materials with non-magnetic bulk.•The clean V(100) surface is paramagnetic.•For 1 atomic V monolayers on W(100), the surface…”
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The role of edge magnetism on the Kohn-Sham gap and fundamental energy gap of graphene quantum dots with zigzag edges by Ramos-Castillo, C.M., Cifuentes-Quintal, M.E., Martínez-Guerra, E., de Coss, R.

“…Energy gap engineering in graphene nanostructures is one of the most important topics towards development of graphene-based electronics. In this work, based on…”
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Pressure effects on the electronic structure and superconducting critical temperature of Li2B2 by Martínez-Guerra, E, Ortíz-Chi, F, Curtarolo, S, de Coss, R

“…We present the structural, electronic and superconducting properties of Li2B2 under pressure within the framework of the density functional theory. The…”
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Structural stability of carbon in the face-centered-cubic (Fm [formula omitted]m) phase by Murrieta, G., Tapia, A., de Coss, R.

“…The structural stability of carbon in the face-centered-cubic (Fm 3 ̄ m) phase has been investigated by means of first-principles full-potential calculations…”
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Electrodeposition and characterization of nanostructured black nickel selective absorber coatings for solar–thermal energy conversion by Lizama-Tzec, F. I., Macías, J. D., Estrella-Gutiérrez, M. A., Cahue-López, A. C., Arés, O., de Coss, R., Alvarado-Gil, J. J., Oskam, G.

“…Selective coatings consisting of a bright nickel interlayer and black nickel overlayer for solar-to-thermal energy conversion have been electrodeposited onto…”
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Implementing quantum gates through scattering between a static and a flying qubit by Cordourier-Maruri, G., Ciccarello, F., Omar, Y., Zarcone, M., de Coss, R., Bose, S.

“…We investigate whether a two-qubit quantum gate can be implemented in a scattering process involving a flying and a static qubit. To this end, we focus on a…”
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On the dynamical stability of ferromagnetic Ru and Os in the bct structure: a first-principles study by Cifuentes-Quintal, M.E., de Coss, R.

“…Recent theoretical studies have predicted magnetic states for Ru and Os in the body-centred tetragonal structure (bct) with . In this study, we present first…”
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Graphene-enabled low-control quantum gates between static and mobile spins by Cordourier-Maruri, G., Omar, Y., de Coss, R., Bose, S.

“…We show that the features of Klein tunneling make graphene a unique interface for implementing low control quantum gates between static and mobile qubits. A…”
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Structural, energetic and magnetic properties of small Tin (n = 2–13) clusters: a density functional study by Medina, J., de Coss, R., Tapia, A., Canto, G.

“… The structural, energetic, and magnetic properties of Ti n clusters ( n = 2 to 13 atoms) have been studied using Density Functional Theory (DFT), applying…”
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Tight-binding electronic structure calculations for the TiFe(001) surface by Canto, G., de Coss, R.

“…We present a self-consistent tight-binding calculation of the electronic structure for the (001) surface of TiFe in the CsCl (B2) structure. The results were…”
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Grafeno: un paso hacia el futuro by E. Martínez-Guerra, M. E. Cifuentes-Quintal, R. de Coss

“…Resumen. Desde su descubrimiento en 2004, el grafeno ha generado una gran expectativa para sustituir la tecnología actual basada en silicio. En este trabajo,…”
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Ab initio study of the structural stability of fcc-CHx phases by CAB, C, MURRIETA, G, CANTO, G, OSKAM, G, DE COSS, R

“…It has recently been suggested that carbon nanocrystals obtained by chemical vapor deposition with a gaseous precursor containing CH4 and H2, may include…”
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Electronic structure of FCC carbon by Tapia, A., Canto, G., Murrieta, G., de Coss, R.

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Local density of states for the strained V-Ta(100) interface by de Coss, R.

“…The influence of strain on the electronic structure at the V-Ta(100) interface as a consequence of the lattice mismatch (approx10%) between the lattice…”
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Ti 4 - and Ni 4 -Doped Defective Graphene Nanoplatelets as Efficient Materials for Hydrogen Storage by Ramos-Castillo, C. M., Reveles, J. U., Cifuentes-Quintal, M. E., Zope, R. R., de Coss, R.

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Polaronic Signatures in Phonon Isotopic Shifts by Mustre de León, J., de Coss, R., Rubio-Ponce, A., Palí, R., Bishop, A.R., Trugman, S.A.

“…The isotopic shift of c‐axis O(4)‐related phonon frequencies in YBa2Cu3O7 is calculated using a model electron–phonon Hamiltonian. This Hamiltonian was…”
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