Zobrazeno 1 - 8
of 8
pro vyhledávání: '"David Abbasi-Pérez"'
Autor:
Filipe L. Q. Junqueira, Lev Kantorovich, Adam Sweetman, Philip Moriarty, Hongqian Sang, David Abbasi-Pérez, J. Manuel Recio
Publikováno v:
Scopus
RUO. Repositorio Institucional de la Universidad de Oviedo
instname
RUO. Repositorio Institucional de la Universidad de Oviedo
instname
Motivated by the quest for experimental procedures capable of controlled manipulation of single atoms on surfaces, we set up a computational strategy that explores the cyclical vertical manipulation of a broad set of single atoms on the GaAs(110) sur
Publikováno v:
Scopus
RUO. Repositorio Institucional de la Universidad de Oviedo
instname
Sang, H, Abbasi-Pérez, D, Recio, J M & Kantorovich, L 2019, ' Externally driven molecular ratchets on a periodic potential surface : A rate equations approach ', Physical Chemistry Chemical Physics, vol. 21, no. 42, pp. 23310-23319 . https://doi.org/10.1039/c9cp03478a
RUO. Repositorio Institucional de la Universidad de Oviedo
instname
Sang, H, Abbasi-Pérez, D, Recio, J M & Kantorovich, L 2019, ' Externally driven molecular ratchets on a periodic potential surface : A rate equations approach ', Physical Chemistry Chemical Physics, vol. 21, no. 42, pp. 23310-23319 . https://doi.org/10.1039/c9cp03478a
The long time dynamics of molecular ratchets on a 1D periodic potential energy surface (PES) subjected to an external stimulus is studied using the rate equation method. The PES consisting of repeated waveforms made of two peaks is considered as an e
Autor:
David B. Amabilino, Rasmita Raval, Hongqian Sang, David Abbasi-Pérez, Lev Kantorovich, Andrea Floris, Lluïsa Pérez-García, J. Manuel Recio
Publikováno v:
Scopus
RUO. Repositorio Institucional de la Universidad de Oviedo
instname
Abbasi Perez, D, Sang, H, Perez-Garcia, L, Floris, A, B. Amabilino, D, Raval, R, Manuel Recio, J & Kantorovitch, L 2020, ' Controlling the preferential motion of chiral molecular walkers on a surface ', Chemical Science, vol. 10, no. 23, pp. 5864-5874 . https://doi.org/10.1039/C9SC01135H
CHEMICAL SCIENCE
RUO. Repositorio Institucional de la Universidad de Oviedo
instname
Abbasi Perez, D, Sang, H, Perez-Garcia, L, Floris, A, B. Amabilino, D, Raval, R, Manuel Recio, J & Kantorovitch, L 2020, ' Controlling the preferential motion of chiral molecular walkers on a surface ', Chemical Science, vol. 10, no. 23, pp. 5864-5874 . https://doi.org/10.1039/C9SC01135H
CHEMICAL SCIENCE
Molecular walkers standing on two or more “feet” on an anisotropic periodic potential of a crystal surface may perform a one-dimensional Brownian motion at the surface-vacuum interface along a particular direction in which their mobility is the l
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fab421223cf875d783732a68188b0caf
http://hdl.handle.net/10651/53017
http://hdl.handle.net/10651/53017
Publikováno v:
Physical Chemistry Chemical Physics. 17:11182-11192
Using a toolkit of theoretical techniques comprising ab initio density functional theory calculations, the nudged elastic band method and kinetic Monte Carlo (KMC) modeling, we investigate in great detail how para-terphenyl-meta-dicarbonitrile (pTmDC
Publikováno v:
The Journal of Physical Chemistry C. 118:10358-10365
Various structural motifs such as 1D ribbons and their interconnections were recently seen in scanning tunneling microscopy experiments when para-terphenyl-meta-dicarbonitrile (pTmDC) molecules wer...
Autor:
Álvaro Lobato, C. Menéndez, David Abbasi-Pérez, Valentín G. Baonza, J. Fernández-Núñez, J. M. Recio
Publikováno v:
Scopus
RUO. Repositorio Institucional de la Universidad de Oviedo
instname
RUO: Repositorio Institucional de la Universidad de Oviedo
Universidad de Oviedo (UNIOVI)
Menéndez, C, Lobato, A, Abbasi-pérez, D, Fernández-núñez, J, Baonza, V G & Recio, J M 2016, ' Anharmonicity effects in the frictionlike mode of graphite ', Phys. Rev. B, vol. 93, no. 14, 144112 . https://doi.org/10.1103/PhysRevB.93.144112
RUO. Repositorio Institucional de la Universidad de Oviedo
instname
RUO: Repositorio Institucional de la Universidad de Oviedo
Universidad de Oviedo (UNIOVI)
Menéndez, C, Lobato, A, Abbasi-pérez, D, Fernández-núñez, J, Baonza, V G & Recio, J M 2016, ' Anharmonicity effects in the frictionlike mode of graphite ', Phys. Rev. B, vol. 93, no. 14, 144112 . https://doi.org/10.1103/PhysRevB.93.144112
Graphite is a prototypical solid lubricant demanding a thorough understanding of its low-friction behavior. The ${E}_{2g}$(1) Raman active vibrational mode of graphite is associated with the rigid-layer relative movement of its graphene sheets. Thus,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c7751c48e82dd7ed91ceb8a7029ffc54
http://hdl.handle.net/10651/37839
http://hdl.handle.net/10651/37839
Publikováno v:
Computer Physics Communications. 182:2232-2248
In the second article of the series, we present the Gibbs 2 code, a Fortran90 reimplementation of the original Gibbs program [Comput. Phys. Commun. 158 (2004) 57] for the calculation of pressure–temperature dependent thermodynamic properties of sol
Autor:
Alberto Otero-de-la-Roza, J. M. Recio, J. M. Menéndez, Mercedes Taravillo, David Abbasi-Pérez, Miriam Marqués, E. del Corro, Valentín G. Baonza
Publikováno v:
Physical Review B. 90