Mostrando 10 resultados de: 17
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Journal of Physical Chemistry C(2)
Journal of the American Chemical Society(2)
Physica Status Solidi (B) Basic Research(2)
ACS Nano(1)
Challenges and Advances in Computational Chemistry and Physics(1)
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Ingeniería y operaciones afines(8)
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Channeling of protons through carbon nanotubes
ArticleAbstract: We investigate how dynamic polarization of carbon valence electrons influences both the angular andPalabras claves:Autores:Borka D., Duncan John Mowbray, Misković Z.L., Nesković N., Petrović S.Fuentes:googlescopusChannelling of dipolar molecules through carbon nanotubes
Conference ObjectAbstract: We study the dynamic polarization of carbon nanotubes caused by the propagation of fast electric dipPalabras claves:Autores:Chung S., Duncan John Mowbray, Goodman F.O., Misković Z.L.Fuentes:googlescopusConductivity models for electron energy loss spectroscopy of graphene in a scanning transmission electron microscope with high energy resolution
ArticleAbstract: Recent advancements in the energy resolution and probing capabilities of monochromated electron-beamPalabras claves:conductivity, EELS, Graphene, Relativistic, spectroscopy, TDDFTAutores:Duncan John Mowbray, Lyon K., Misković Z.L.Fuentes:googlescopusDensity functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project
ArticleAbstract: We present a computational screening study of ternary metal borohydrides for reversible hydrogen stoPalabras claves:Autores:Adamska L., Andersin J., Baran J.D., Barmparis G.D., Bell F., Bezanilla A.L., Bjork J., Björketun M.E., Bleken F., Bork N., Buchter F., Bürkle M., Burton P.D., Buus B.B., Calborean A., Calle-Vallejo F., Casolo S., Chandler B.D., Chi D.H., Czekaj I., Datta S., Datye A., Delariva A., Despoja V., Dobrin S., Duak M., Duncan John Mowbray, Engelund M., Ferrighi L., Frondelius P., Fu Q., Fuentes A., Fürst J., García-Fuente A., Gavnholt J., Goeke R., Gudmundsdottir S., Hammond K.D., Hansen H.A., Hibbitts D., Hobi E., Howalt J.G., Hruby S.L., Hummelshøj J.S., Huth A., Isaeva L., Jelic J., Jensen I.J.T., Jiang T., Kacprzak K.A., Kelkkanen A., Kelsey D., Kesanakurthi D.S., Kleis J., Klüpfel P.J., Konstantinov I., Korytar R., Koskinen P., Krishna C., Kunkes E., Landis D.D., Larsen A.H., Lastra J.M.G., Lin H., Lopez-Acevedo O., Mantega M., Martínez J.I., Mesa I.N., Mortensen J.J., Mrdal J.S.G., Natanzon Y., Nistor A., Olsen T., Park H., Pedroza L.S., Petzold V., Plaisance C., Rasmussen J.A., Ren H., Rizzi M., Ronco A.S., Rostgaard C., Saadi S., Salguero L.A., Santos E.J.G., Schoenhalz A.L., Shen J., Smedemand M., Stausholm-Møller O.J., Stibius M., Strange M., Su H.B., Tekin A., Temel B., Toftelund A., Tripkovic V., Vanin M., Viswanathan V., Vojvodic A., Voss J.Fuentes:googlescopusDesigning multifunctional chemical sensors using Ni and Cu doped carbon nanotubes
ArticleAbstract: We demonstrate a "bottom up" approach to the computational design of a multifunctional chemical sensPalabras claves:Co, Metal-doping, Nanosensing, nanotubesAutores:Duncan John Mowbray, Jacobsen K.W., Lastra J.M.G., Rubio A., Thygesen K.S.Fuentes:googlescopusGas sensing and thermal transport through carbon-nanotube-based nanodevices
Book PartAbstract: Designing nanoscale devices, such as gas sensors and thermal dissipators, is challenging at multiplePalabras claves:atomic and molecular physicsThermal properties of nanotubesDFT, condensed matterElectronic transport in nanotubes Electronic transport in nanocontacts, Quantum transport processesChemical sensorsDFTAutores:Alejandro Pérez Paz, Duncan John Mowbray, Halonen N., Kónya Z., Kordás K., Kukovecz , Lastra J.M.G., Leroy Y., Mäklin J., Pouillon Y., Rubio A., Tóth G.Fuentes:googlescopusDynamic interactions of fast ions with multiwalled carbon nanotubes
ArticleAbstract: We use a two-fluid hydrodynamic model to describe the dielectric response of the σ and π electron syPalabras claves:carbon nanotubes, Hydrodynamic model, Image potential, Plasmon excitation, Stopping powerAutores:Chung S., Duncan John Mowbray, Goodman F.O., Misković Z.L., Wang Y.N.Fuentes:googlescopusDynamic polarization effects on the angular distributions of protons channeled through carbon nanotubes in dielectric media
ArticleAbstract: The best level of ordering and straightening of carbon nanotube arrays is often achieved when they aPalabras claves:Autores:Borka D., Duncan John Mowbray, Misković Z.L., Nesković N., Petrović S.Fuentes:googlescopusInfluence of O2 and N2 on the conductivity of carbon nanotube networks
ArticleAbstract: We have performed experiments on single-wall carbon nanotube (SWNT) networks and compared with densiPalabras claves:Autores:Duncan John Mowbray, Morgan C., Thygesen K.S.Fuentes:googlescopusPhotoinduced C-C reactions on insulators toward photolithography of graphene nanoarchitectures
ArticleAbstract: On-surface chemistry for atomically precise sp2 macromolecules requires top-down lithographic methodPalabras claves:Autores:Barth J.V., Berger R., Bjork J., Cabellos J.L., Diller K., Duncan John Mowbray, Feng X., Ivleva N.P., Klappenberger F., Margapoti E., Matich S., Menges B., Müllen K., Niessner R., Palma C.A., Papageorgiou A.C., Räder H.J., Reichert J., Rubio A., Welle A.Fuentes:googlescopus