Mostrando 10 resultados de: 25
Filtros aplicados
Publisher
Journal of Physical Chemistry C(6)
ACS Nano(2)
Journal of Chemical Physics(2)
Nature Communications(2)
New Journal of Chemistry(2)
Área temáticas
Química orgánica(11)
Ingeniería y operaciones afines(9)
Química física(9)
Química inorgánica(9)
Física(4)
Author Correction: Polycyclic aromatic chains on metals and insulating layers by repetitive [3+2] cycloadditions (Nature Communications, (2020), 11, 1, (1490), 10.1038/s41467-020-15210-2)
OtherAbstract: The original version of this Article omitted some funding sources in the Acknowledgements. The correPalabras claves:Autores:Alejandro Pérez Paz, Auwärter W., Barth J.V., Berger R., Corral E., Ducke J., Feng X., Garnica M., He Y., Müllen K., Narita A., Palma C.A., Raju R., Richter M., Riss A., Rubio A., Seufert K., Wang X.Y., Wuttke M.Fuentes:scopusBz-8HQ: a novel supramolecular fluorochrome exhibiting multiple stimuli-responsiveness
ArticleAbstract: A novel multifunctional fluorescent molecule (Bz-8HQ) has been designed and synthesized by the linkaPalabras claves:Autores:Alejandro Pérez Paz, Bojesomo R., Khasawneh M.A., Saadeh H.A., Saleh N., Samadi A., Siddig L.A.Fuentes:googlescopusA density-functional study of the energetics of H<inf>2</inf>O dissociation on bimetallic Pt/Ru nanoclusters
ArticleAbstract: A density-functional study of homolytic and heterolytic O-H bond cleavage in the dehydrogenation reaPalabras claves:Autores:Alejandro Pérez Paz, Cabrera C., Diaz-Morales R., Ishikawa Y., Vilkas M.Fuentes:googlescopusA molecular dynamics study of water nucleation using the TIP4P/2005 model
ArticleAbstract: Extensive molecular dynamics simulations were conducted using the TIP4P/2005 water model of AbascalPalabras claves:Autores:Alejandro Pérez Paz, Rubio A.Fuentes:googlescopusDensity functional theory study of water activation and CO<inf>ads</inf> + OH<inf>ads</inf> reaction on pure platinum and bimetallic platinum/ruthenium nanoclusters
ArticleAbstract: A density functional theory study of the elementary steps that lead to the removal of COads(Pt) overPalabras claves:Autores:Alejandro Pérez Paz, Cabrera C., Ishikawa Y., Vilkas M.Fuentes:googlescopusAdsorption Conformation and Lateral Registry of Cobalt Porphine on Cu(111)
ArticleAbstract: The tetrapyrrole macrocycle of porphine is the common core of all porphyrin molecules, an interestinPalabras claves:Autores:Alejandro Pérez Paz, Allegretti F., Auwärter W., Barth J.V., Deimel P., Ducke J., Duncan D.A., Garnica M., Lee T., Rubio A., Schwarz M., Thakur P.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:googlescopusDisentangling Vacancy Oxidation on Metallicity-Sorted Carbon Nanotubes
ArticleAbstract: Pristine single-walled carbon nanotubes (SWCNTs) are rather inert to O2 and N2, which for low dosesPalabras claves:Autores:Alejandro Pérez Paz, Dalmiglio M., Duncan John Mowbray, Goldoni A., Lacovig P., Lizzit S., Paola A. Ayala, Pichler T., Rubio A., Ruiz-Soria G., Sauer M., Yanagi K.Fuentes:googlescopusNoncovalent Dimerization after Enediyne Cyclization on Au(111)
ArticleAbstract: We investigate the thermally induced cyclization of 1,2-bis(2-phenylethynyl)benzene on Au(111) usingPalabras claves:Autores:Alejandro Pérez Paz, Chen Y.C., Crommie M.F., de Oteyza D.G., Fischer F.R., Pedramrazi Z., Riss A., Rubio A., Tsai H.Z., Wickenburg S.Fuentes:googlescopusHydrated alkali atoms on copper(111): A density functional theory study
ArticleAbstract: We present a systematic computational study of submonolayer coverage of alkali atoms (Na, K, Cs) onPalabras claves:Autores:Alejandro Pérez Paz, Rubio A.Fuentes:googlescopus