Zobrazeno 1 - 10
of 61
pro vyhledávání: '"M. E. Cifuentes-Quintal"'
Defect-induced magnetism in graphene has been predicted theoretically and observed experimentally. However, there are open questions about the origin of the magnetic behavior when substitutional impurities with $sp$ electrons are considered. The aim
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8ea3fcee6409f20babfd6721c4113c28
http://arxiv.org/abs/2206.08969
http://arxiv.org/abs/2206.08969
Publikováno v:
Mundo Nano, Vol 2, Iss 1 (2015)
Resumen. Desde su descubrimiento en 2004, el grafeno ha generado una gran expectativa para sustituir la tecnología actual basada en silicio. En este trabajo, discutimos de manera simple cuáles son las propiedades que sustentan esta expectativa. En
Externí odkaz:
https://doaj.org/article/d1d35d9ce3d74653840b559570017b2c
Publikováno v:
Carbon. 153:89-94
Energy gap engineering in graphene nanostructures is one of the most important topics towards development of graphene-based electronics. In this work, based on the density functional theory, the role of the edge magnetism on the size dependence of Ko
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7658d1cced66417e124350d404f324d2
https://doi.org/10.1016/j.carbon.2019.06.111
https://doi.org/10.1016/j.carbon.2019.06.111
Publikováno v:
Physical Review Letters 125(2020)19, 196401
High-level first-principles computations predict blue phosphorene bilayer to be a two-dimensional metal. This structure has not been considered before and was identified by employing a block-diagram scheme that yields the complete set of five high-sy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e1551683ace49374192cb037ccb4a88b
https://doi.org/10.1103/physrevlett.125.196401
https://doi.org/10.1103/physrevlett.125.196401
Autor:
Jorge Barroso, Joelis Rodríguez-Hernández, Gabriel Merino, Rubén A. Toscano, Braulio Rodríguez-Molina, M. E. Cifuentes-Quintal, Marcus J. Jellen, Abraham Colin-Molina
Publikováno v:
Chemistry – A European Journal. 26
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7b7b7d77882af0a70626e21853360f2d
https://doi.org/10.1002/chem.202085162
https://doi.org/10.1002/chem.202085162
Autor:
M. E. Cifuentes-Quintal, Marcus J. Jellen, Jorge Barroso, Braulio Rodríguez-Molina, Gabriel Merino, Joelis Rodríguez-Hernández, Rubén A. Toscano, Abraham Colin-Molina
Publikováno v:
Chemistry (Weinheim an der Bergstrasse, Germany). 26(51)
Two new crystalline rotors 1 and 2 assembled through N-H⋅⋅⋅N hydrogen bonds by using halogenated carbazole as stators and 1,4-diaza[2.2.2]bicyclooctane (DABCO) as the rotator, are described. The dynamic characterization through 1 H T1 relaxomet
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2b0c065c9f4f9a47741f91e05be42e64
https://pubmed.ncbi.nlm.nih.gov/32243632
https://pubmed.ncbi.nlm.nih.gov/32243632
The effects of biaxial strain on the impurity-induced magnetism in P-doped graphene (P-graphene) and N-doped silicene (N-silicene) are studied by means of spin-polarized density functional calculations, using the supercell approach. The calculations
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::581216af23e34c67fa8a256f62f620ef
http://arxiv.org/abs/2002.08998
http://arxiv.org/abs/2002.08998
Publikováno v:
Physical Chemistry Chemical Physics. 19:21174-21184
Recent studies suggest that graphene decorated with light metal atoms is a feasible alternative for the design of the next generation of hydrogen storage systems, that is, materials which require a gravimetric content of at least 7.5 wt%, and an adso
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::08183ac0ab343f288dfd3ea8ac413ba6
https://doi.org/10.1039/c7cp03347h
https://doi.org/10.1039/c7cp03347h
Publikováno v:
The Journal of Physical Chemistry C. 120:5001-5009
We report a detailed theoretical investigation of the structural and electronic properties of titanium- and nickel-doped defective graphene nanoplatelets, which are shown to be efficient materials for hydrogen storage. We found that H2 bond cleavage
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d8b8423c55c29ad6b1352ee3b1c0a9d4
https://doi.org/10.1021/acs.jpcc.5b12711
https://doi.org/10.1021/acs.jpcc.5b12711
Publikováno v:
physica status solidi (RRL) – Rapid Research Letters. 14:2000230
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::afb0f84d457e1f14873bf3bc6f43e1f1
https://doi.org/10.1002/pssr.202000230
https://doi.org/10.1002/pssr.202000230