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2016
P. Borghetti, De Oteyza, D. G., Rogero, C., Goiri, E., Verdini, A., Cossaro, A., Floreano, L., and Ortega, J. E., Molecular-Level Realignment in Donor-Acceptor Bilayer Blends on Metals, Journal of Physical Chemistry C, vol. 120, pp. 5997-6005, 2016.
A. Kivimäki, Coreno, M., Miotti, P., Frassetto, F., Poletto, L., Stråhlman, C., de Simone, M., and Richter, R., The multielectron character of the S 2p → 4eg shape resonance in the SF6 molecule studied via detection of soft X-ray emission and neutral high-Rydberg fragments, Journal of Electron Spectroscopy and Related Phenomena, vol. 209, pp. 26-33, 2016.
L. Del Re, Fabrizio, M., and Tosatti, E., Nonequilibrium and nonhomogeneous phenomena around a first-order quantum phase transition, Physical Review B - Condensed Matter and Materials Physics, vol. 93, 2016.
S. Managò, DeLuca, A. C., Rendina, I., Mocella, V., Romano, S., Carapella, G., Ciancio, R., and Gombos, M., Normal-State Optical Features Study of Nd123 and Gd1212 HTSC Materials for Photonics and Metamaterials Fabrication, IEEE Transactions on Applied Superconductivity, vol. 26, 2016.
A. Matruglio, Dal Zilio, S., Sergo, R., Mincigrucci, R., Svetina, C., Principi, E., Mahne, N., Raimondi, L., Turchet, A., Masciovecchio, C., Lazzarino, M., Cautero, G., and Zangrando, M., A novel approach in the free-electron laser diagnosis based on a pixelated phosphor detector, Journal of Synchrotron Radiation, vol. 23, pp. 29-34, 2016.
T. Baran, Fracchia, M., Vertova, A., Achilli, E., Naldoni, A., Malara, F., Rossi, G., Rondinini, S., Ghigna, P., Minguzzi, A., and D'Acapito, F., Operando and Time-Resolved X-Ray Absorption Spectroscopy for the Study of Photoelectrode Architectures, Electrochimica Acta, vol. 207, pp. 16-21, 2016.
H. A. Miller, Lavacchi, A., Vizza, F., Marelli, M., Di Benedetto, F., D'Acapito, F., Paska, Y., Page, M., and Dekel, D. R., A Pd/C-CeO2Anode Catalyst for High-Performance Platinum-Free Anion Exchange Membrane Fuel Cells, Angewandte Chemie - International Edition, vol. 55, pp. 6004-6007, 2016.
H. A. Miller, Lavacchi, A., Vizza, F., Marelli, M., Di Benedetto, F., D'Acapito, F., Paska, Y., Page, M., and Dekel, D. R., A Pd/C-CeO2Anode Catalyst for High-Performance Platinum-Free Anion Exchange Membrane Fuel Cells, Angewandte Chemie - International Edition, vol. 55, pp. 6004-6007, 2016.
H. A. Miller, Lavacchi, A., Vizza, F., Marelli, M., Di Benedetto, F., D'Acapito, F., Paska, Y., Page, M., and Dekel, D. R., A Pd/C-CeO2Anode Catalyst for High-Performance Platinum-Free Anion Exchange Membrane Fuel Cells, Angewandte Chemie - International Edition, vol. 55, pp. 6004-6007, 2016.
R. Sabatini, Küçükbenli, E., Pham, C. H., and de Gironcoli, S., Phonons in nonlocal van der Waals density functional theory, Physical Review B - Condensed Matter and Materials Physics, vol. 93, 2016.
M. Mitrano, Cantaluppi, A., Nicoletti, D., Kaiser, S., Perucchi, A., Lupi, S., Di Pietro, P., Pontiroli, D., Riccó, M., Clark, S. R., Jaksch, D., and Cavalleri, A., Possible light-induced superconductivity in K3 C60 at high temperature, Nature, vol. 530, pp. 461-464, 2016.
A. Filippetti, Fiorentini, V., Ricci, F., Delugas, P., and Íñiguez, J., Prediction of a native ferroelectric metal, Nature Communications, vol. 7, 2016.
R. Capelli, Mahne, N., Koshmak, K., Giglia, A., Doyle, B. P., Mukherjee, S., Nannarone, S., and Pasquali, L., Quantitative resonant soft x-ray reflectivity of ultrathin anisotropic organic layers: Simulation and experiment of PTCDA on Au, Journal of Chemical Physics, vol. 145, 2016.
K. Lejaeghere, Bihlmayer, G., Björkman, T., Blaha, P., Blügel, S., Blum, V., Caliste, D., Castelli, I. E., Clark, S. J., Dal Corso, A., de Gironcoli, S., Deutsch, T., Dewhurst, J. K., Di Marco, I., Draxl, C., Dułak, M., Eriksson, O., Flores-Livas, J. A., Garrity, K. F., Genovese, L., Giannozzi, P., Giantomassi, M., Goedecker, S., Gonze, X., Grånäs, O., Gross, E. K. U., Gulans, A., Gygi, F., Hamann, D. R., Hasnip, P. J., Holzwarth, N. A. W., Iuşan, D., Jochym, D. B., Jollet, F., Jones, D., Kresse, G., Koepernik, K., Küçükbenli, E., Kvashnin, Y. O., Locht, I. L. M., Lubeck, S., Marsman, M., Marzari, N., Nitzsche, U., Nordström, L., Ozaki, T., Paulatto, L., Pickard, C. J., Poelmans, W., Probert, M. I. J., Refson, K., Richter, M., Rignanese, G. - M., Saha, S., Scheffler, M., Schlipf, M., Schwarz, K., Sharma, S., Tavazza, F., Thunström, P., Tkatchenko, A., Torrent, M., Vanderbilt, D., Van Setten, M. J., Van Speybroeck, V., Wills, J. M., Yates, J. R., Zhang, G. - X., and Cottenier, S., Reproducibility in density functional theory calculations of solids, Science, vol. 351, 2016.
K. Lejaeghere, Bihlmayer, G., Björkman, T., Blaha, P., Blügel, S., Blum, V., Caliste, D., Castelli, I. E., Clark, S. J., Dal Corso, A., de Gironcoli, S., Deutsch, T., Dewhurst, J. K., Di Marco, I., Draxl, C., Dułak, M., Eriksson, O., Flores-Livas, J. A., Garrity, K. F., Genovese, L., Giannozzi, P., Giantomassi, M., Goedecker, S., Gonze, X., Grånäs, O., Gross, E. K. U., Gulans, A., Gygi, F., Hamann, D. R., Hasnip, P. J., Holzwarth, N. A. W., Iuşan, D., Jochym, D. B., Jollet, F., Jones, D., Kresse, G., Koepernik, K., Küçükbenli, E., Kvashnin, Y. O., Locht, I. L. M., Lubeck, S., Marsman, M., Marzari, N., Nitzsche, U., Nordström, L., Ozaki, T., Paulatto, L., Pickard, C. J., Poelmans, W., Probert, M. I. J., Refson, K., Richter, M., Rignanese, G. - M., Saha, S., Scheffler, M., Schlipf, M., Schwarz, K., Sharma, S., Tavazza, F., Thunström, P., Tkatchenko, A., Torrent, M., Vanderbilt, D., Van Setten, M. J., Van Speybroeck, V., Wills, J. M., Yates, J. R., Zhang, G. - X., and Cottenier, S., Reproducibility in density functional theory calculations of solids, Science, vol. 351, 2016.
K. Lejaeghere, Bihlmayer, G., Björkman, T., Blaha, P., Blügel, S., Blum, V., Caliste, D., Castelli, I. E., Clark, S. J., Dal Corso, A., de Gironcoli, S., Deutsch, T., Dewhurst, J. K., Di Marco, I., Draxl, C., Dułak, M., Eriksson, O., Flores-Livas, J. A., Garrity, K. F., Genovese, L., Giannozzi, P., Giantomassi, M., Goedecker, S., Gonze, X., Grånäs, O., Gross, E. K. U., Gulans, A., Gygi, F., Hamann, D. R., Hasnip, P. J., Holzwarth, N. A. W., Iuşan, D., Jochym, D. B., Jollet, F., Jones, D., Kresse, G., Koepernik, K., Küçükbenli, E., Kvashnin, Y. O., Locht, I. L. M., Lubeck, S., Marsman, M., Marzari, N., Nitzsche, U., Nordström, L., Ozaki, T., Paulatto, L., Pickard, C. J., Poelmans, W., Probert, M. I. J., Refson, K., Richter, M., Rignanese, G. - M., Saha, S., Scheffler, M., Schlipf, M., Schwarz, K., Sharma, S., Tavazza, F., Thunström, P., Tkatchenko, A., Torrent, M., Vanderbilt, D., Van Setten, M. J., Van Speybroeck, V., Wills, J. M., Yates, J. R., Zhang, G. - X., and Cottenier, S., Reproducibility in density functional theory calculations of solids, Science, vol. 351, 2016.
K. Lejaeghere, Bihlmayer, G., Björkman, T., Blaha, P., Blügel, S., Blum, V., Caliste, D., Castelli, I. E., Clark, S. J., Dal Corso, A., de Gironcoli, S., Deutsch, T., Dewhurst, J. K., Di Marco, I., Draxl, C., Dułak, M., Eriksson, O., Flores-Livas, J. A., Garrity, K. F., Genovese, L., Giannozzi, P., Giantomassi, M., Goedecker, S., Gonze, X., Grånäs, O., Gross, E. K. U., Gulans, A., Gygi, F., Hamann, D. R., Hasnip, P. J., Holzwarth, N. A. W., Iuşan, D., Jochym, D. B., Jollet, F., Jones, D., Kresse, G., Koepernik, K., Küçükbenli, E., Kvashnin, Y. O., Locht, I. L. M., Lubeck, S., Marsman, M., Marzari, N., Nitzsche, U., Nordström, L., Ozaki, T., Paulatto, L., Pickard, C. J., Poelmans, W., Probert, M. I. J., Refson, K., Richter, M., Rignanese, G. - M., Saha, S., Scheffler, M., Schlipf, M., Schwarz, K., Sharma, S., Tavazza, F., Thunström, P., Tkatchenko, A., Torrent, M., Vanderbilt, D., Van Setten, M. J., Van Speybroeck, V., Wills, J. M., Yates, J. R., Zhang, G. - X., and Cottenier, S., Reproducibility in density functional theory calculations of solids, Science, vol. 351, 2016.
K. Lejaeghere, Bihlmayer, G., Björkman, T., Blaha, P., Blügel, S., Blum, V., Caliste, D., Castelli, I. E., Clark, S. J., Dal Corso, A., de Gironcoli, S., Deutsch, T., Dewhurst, J. K., Di Marco, I., Draxl, C., Dułak, M., Eriksson, O., Flores-Livas, J. A., Garrity, K. F., Genovese, L., Giannozzi, P., Giantomassi, M., Goedecker, S., Gonze, X., Grånäs, O., Gross, E. K. U., Gulans, A., Gygi, F., Hamann, D. R., Hasnip, P. J., Holzwarth, N. A. W., Iuşan, D., Jochym, D. B., Jollet, F., Jones, D., Kresse, G., Koepernik, K., Küçükbenli, E., Kvashnin, Y. O., Locht, I. L. M., Lubeck, S., Marsman, M., Marzari, N., Nitzsche, U., Nordström, L., Ozaki, T., Paulatto, L., Pickard, C. J., Poelmans, W., Probert, M. I. J., Refson, K., Richter, M., Rignanese, G. - M., Saha, S., Scheffler, M., Schlipf, M., Schwarz, K., Sharma, S., Tavazza, F., Thunström, P., Tkatchenko, A., Torrent, M., Vanderbilt, D., Van Setten, M. J., Van Speybroeck, V., Wills, J. M., Yates, J. R., Zhang, G. - X., and Cottenier, S., Reproducibility in density functional theory calculations of solids, Science, vol. 351, 2016.
K. Lejaeghere, Bihlmayer, G., Björkman, T., Blaha, P., Blügel, S., Blum, V., Caliste, D., Castelli, I. E., Clark, S. J., Dal Corso, A., de Gironcoli, S., Deutsch, T., Dewhurst, J. K., Di Marco, I., Draxl, C., Dułak, M., Eriksson, O., Flores-Livas, J. A., Garrity, K. F., Genovese, L., Giannozzi, P., Giantomassi, M., Goedecker, S., Gonze, X., Grånäs, O., Gross, E. K. U., Gulans, A., Gygi, F., Hamann, D. R., Hasnip, P. J., Holzwarth, N. A. W., Iuşan, D., Jochym, D. B., Jollet, F., Jones, D., Kresse, G., Koepernik, K., Küçükbenli, E., Kvashnin, Y. O., Locht, I. L. M., Lubeck, S., Marsman, M., Marzari, N., Nitzsche, U., Nordström, L., Ozaki, T., Paulatto, L., Pickard, C. J., Poelmans, W., Probert, M. I. J., Refson, K., Richter, M., Rignanese, G. - M., Saha, S., Scheffler, M., Schlipf, M., Schwarz, K., Sharma, S., Tavazza, F., Thunström, P., Tkatchenko, A., Torrent, M., Vanderbilt, D., Van Setten, M. J., Van Speybroeck, V., Wills, J. M., Yates, J. R., Zhang, G. - X., and Cottenier, S., Reproducibility in density functional theory calculations of solids, Science, vol. 351, 2016.
K. Lejaeghere, Bihlmayer, G., Björkman, T., Blaha, P., Blügel, S., Blum, V., Caliste, D., Castelli, I. E., Clark, S. J., Dal Corso, A., de Gironcoli, S., Deutsch, T., Dewhurst, J. K., Di Marco, I., Draxl, C., Dułak, M., Eriksson, O., Flores-Livas, J. A., Garrity, K. F., Genovese, L., Giannozzi, P., Giantomassi, M., Goedecker, S., Gonze, X., Grånäs, O., Gross, E. K. U., Gulans, A., Gygi, F., Hamann, D. R., Hasnip, P. J., Holzwarth, N. A. W., Iuşan, D., Jochym, D. B., Jollet, F., Jones, D., Kresse, G., Koepernik, K., Küçükbenli, E., Kvashnin, Y. O., Locht, I. L. M., Lubeck, S., Marsman, M., Marzari, N., Nitzsche, U., Nordström, L., Ozaki, T., Paulatto, L., Pickard, C. J., Poelmans, W., Probert, M. I. J., Refson, K., Richter, M., Rignanese, G. - M., Saha, S., Scheffler, M., Schlipf, M., Schwarz, K., Sharma, S., Tavazza, F., Thunström, P., Tkatchenko, A., Torrent, M., Vanderbilt, D., Van Setten, M. J., Van Speybroeck, V., Wills, J. M., Yates, J. R., Zhang, G. - X., and Cottenier, S., Reproducibility in density functional theory calculations of solids, Science, vol. 351, 2016.
M. Roiaz, Monachino, E., Dri, C., Greiner, M., Knop-Gericke, A., Schlogl, R., Comelli, G., and Vesselli, E., Reverse Water-Gas Shift or Sabatier Methanation on Ni(110)? Stable Surface Species at Near-Ambient Pressure, Journal of the American Chemical Society, vol. 138, pp. 4146-4154, 2016.
F. D'Acapito, Souchier, E., Noé, P., Blaise, P., Bernard, M., and Jousseaume, V., Role of Sb dopant in Ag:GeSx-based conducting bridge random access memories, Physica Status Solidi (A) Applications and Materials Science, vol. 213, pp. 311-315, 2016.
J. Stigloher, Decker, M., Körner, H. S., Tanabe, K., Moriyama, T., Taniguchi, T., Hata, H., Madami, M., Gubbiotti, G., Kobayashi, K., Ono, T., and Back, C. H., Snell's Law for Spin Waves, Physical Review Letters, vol. 117, 2016.
F. Capitani, Höppner, M., Malavasi, L., Marini, C., Artioli, G. A., Hanfland, M., Dore, P., Boeri, L., and Postorino, P., Structural Evolution of Solid Phenanthrene at High Pressures, Journal of Physical Chemistry C, vol. 120, pp. 14310-14316, 2016.
W. Busayaporn, Duncan, D. A., Allegretti, F., Wander, A., Bech, M., Møller, P. J., Doyle, B. P., Harrison, N. M., Thornton, G., and Lindsay, R., Structure of a model dye/titania interface: Geometry of benzoate on rutile-TiO2 (110)(1 × 1), Journal of Physical Chemistry C, vol. 120, pp. 14690-14698, 2016.

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