Zobrazeno 1 - 10
of 10
pro vyhledávání: '"R. A. Guirado-López"'
Publikováno v:
Physical Chemistry Chemical Physics. 25:3718-3736
Peaks in the XPS spectra are composite signals where different N defects coexist. Conformational effects and oxygen contamination can also be a source of N 1s signal broadening.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::72629ceb584ff66852f28794ab0ecf3c
https://doi.org/10.1039/d2cp04701b
https://doi.org/10.1039/d2cp04701b
Autor:
D. Márquez-Ruíz, R. A. Guirado-López
Publikováno v:
The Journal of Physical Chemistry C. 126:326-338
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::94af6de919def8be5cfc9ec35b77329a
https://doi.org/10.1021/acs.jpcc.1c05958
https://doi.org/10.1021/acs.jpcc.1c05958
Publikováno v:
Physical chemistry chemical physics : PCCP. 21(43)
We present a combined experimental and theoretical study dedicated to analyze the variations in the surface chemistry of hydroxylated multiwalled carbon nanotubes (MWCNTs), so called nanotubols, when exposed to H2O2 at high temperatures. The formatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::465139346413ddcefc038cb83bfb1e48
https://pubmed.ncbi.nlm.nih.gov/31656964
https://pubmed.ncbi.nlm.nih.gov/31656964
Publikováno v:
Physical chemistry chemical physics : PCCP. 19(10)
We present a combined experimental and theoretical study dedicated to analyzing the structural stability and chemical reactivity of single walled carbon nanotubes (SWCNTs) in the presence of air and nitrogen atmospheres in the temperature interval of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8fb47350b7bce3f855c080e8d95df3e4
https://pubmed.ncbi.nlm.nih.gov/28233880
https://pubmed.ncbi.nlm.nih.gov/28233880
Publikováno v:
Journal of Computational and Theoretical Nanoscience. 5:2255-2263
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9c85b17fbd4676591f8a3d6c9c362294
https://doi.org/10.1166/jctn.2008.1130
https://doi.org/10.1166/jctn.2008.1130
Publikováno v:
The European Physical Journal D. 36:67-78
The spin and orbital moments of fcc Fe-Ni cluster alloys are determined within the framework of a d-band Hamiltonian including the spin-orbit coupling non perturbatively. Different sizes (up to 321 atoms), compositions, and chemical configurations (r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::27b73709f16611dfd67c3d9beb36c06d
https://doi.org/10.1140/epjd/e2005-00182-9
https://doi.org/10.1140/epjd/e2005-00182-9
Publikováno v:
Journal of nanoscience and nanotechnology. 8(12)
Following the experimental results of Respaud et al. [Phys. Rev. B 57, 2925 (1998)] we report self-consistent electronic structure calculations in order to analyze the magnetic properties of Co nanoparticles in which a coexistence of bcc and compact
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::58e444cab4cf61eb59e312b7195384c4
https://pubmed.ncbi.nlm.nih.gov/19205229
https://pubmed.ncbi.nlm.nih.gov/19205229
Publikováno v:
The Journal of Chemical Physics. 139:174307
We present pseudo-potential density functional theory calculations dedicated to analyze the stability and electronic properties of thiol-based molecular overlayers adsorbed on C60. We consider short molecules having a S atom as a headgroup, alkyl cha
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d518b4f512b3bb04965d2a5199182482
https://doi.org/10.1063/1.4827257
https://doi.org/10.1063/1.4827257
Publikováno v:
The Journal of Chemical Physics. 130:234706
We present extensive pseudopotential density functional theory (DFT) calculations in order to analyze the structural properties and chemical reactivity of nitrogen molecules confined in spheroidal (C(82)) and tubelike (C(110)) carbon fullerene struct
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2b27d7044855b8f4e0c91731becb6f2d
https://doi.org/10.1063/1.3152573
https://doi.org/10.1063/1.3152573
Publikováno v:
Journal of Physical Chemistry A; Aug2006, Vol. 110 Issue 30, p9459-9468, 10p