Zobrazeno 1 - 10
of 20
pro vyhledávání: '"P.A Gravil"'
Autor:
P.A. Gravil, Hervé Toulhoat
Publikováno v:
Surface Science. 430:192-198
First principles calculations for the coadsorption of hydrogen with sulphur and chlorine on Pd(111) are presented. Individually, both sulphur and chlorine poison hydrogen adsorption, sulphur being the more efficient poison. The observed sulphur poiso
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b59e71a6cb65e548b7da4694b61359b8
https://doi.org/10.1016/s0039-6028(99)00433-1
https://doi.org/10.1016/s0039-6028(99)00433-1
Autor:
P.A Gravil, H Toulhoat
Publikováno v:
Surface Science. 430:176-191
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::06e15898d1e4b25fb9e1d0880ce3bbec
https://doi.org/10.1016/s0039-6028(99)00432-x
https://doi.org/10.1016/s0039-6028(99)00432-x
Autor:
David Bird, P.A. Gravil
Publikováno v:
Surface Science. :555-562
First-principles calculations, using a slab geometry and based on density functional theory, are having an increasing impact on our understanding of molecule-surface interactions. Calculations of molecular dissociation at metallic surfaces are briefl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6e90278276a63cc36874f03d2e6f7882
https://doi.org/10.1016/s0039-6028(97)01484-2
https://doi.org/10.1016/s0039-6028(97)01484-2
Publikováno v:
Physical Review Letters. 77:3933-3936
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e625a629de334f2d902a1c94e6a66d44
https://doi.org/10.1103/physrevlett.77.3933
https://doi.org/10.1103/physrevlett.77.3933
Publikováno v:
Surface Science. :248-252
The interaction of O 2 with Ag(110) provides a classic example of precursor-mediated dissociation, with a well-characterised molecular state existing between the gas-phase molecule and the dissociated O atoms. Results are presented of plane-wave, pse
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c1390ebf43ef24dd292be7fa2d7b1f1f
https://doi.org/10.1016/0039-6028(95)01141-2
https://doi.org/10.1016/0039-6028(95)01141-2
Publikováno v:
Surface Science. 329(3):199-205
The polarisation of C60 molecules on GeS(001) by the static electric field generated by the surface ions has been calculated using a simple model for molecular polarization with a local anisotropic polarizability for each carbon atom. The resulting m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ee23bcba2aa4ce99d6e09f495e52f3dc
https://researchportal.unamur.be/en/publications/1c763025-a0ca-41df-99dd-6965ef959c8b
https://researchportal.unamur.be/en/publications/1c763025-a0ca-41df-99dd-6965ef959c8b
Autor:
Stephen Holloway, P.A. Gravil
Publikováno v:
Surface Review and Letters. :611-614
The motion of steps on (113), (115), and (117) surfaces of aluminium has been studied by molecular dynamics simulations. The time dependence of the position fluctuations was found to show a power-law dependence, tn, where 0.25
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::db2c6b0ed54c86242b4a0ab00cf7610e
https://doi.org/10.1142/s0218625x94000783
https://doi.org/10.1142/s0218625x94000783
Autor:
P.A. Gravil, Stephen Holloway
Publikováno v:
Surface Science. 310:267-272
We present the results of molecular dynamics simulations and energy minimisation calculations for the diffusion of an Al adatom on Al(110) and Al(100) surfaces using a realistic many-body potential. For the Al/Al(110) system, the adatom motion is fou
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b0a706c3ccf027569a40756854f36ffd
https://doi.org/10.1016/0039-6028(94)91390-0
https://doi.org/10.1016/0039-6028(94)91390-0
Publikováno v:
Journal of Physics: Condensed Matter. 4:9811-9822
We observe a number of well defined peaks in the photoemission spectra from Y(0001) over the photon energy range 25 eV
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7d66bb6675db80d5407ee1fa3ab7a6f9
https://doi.org/10.1088/0953-8984/4/49/009
https://doi.org/10.1088/0953-8984/4/49/009
Autor:
N. P. Prince, R. I. R. Blyth, P.A. Gravil, R.J. Cole, Sarnjeet S. Dhesi, R. Cosso, A.J. Patchett, Steve Barrett, T. Mitrelias, K. Newstead
Publikováno v:
Journal of Alloys and Compounds. 180:259-263
Angle-resolved UV photoemission has been used to investigate the electronic structure of the (0001) surfaces of scandium, yttrium, praseodymium and gadolinium. Off-normal emission spectra were recorded with high angular resolution, enabling detailed
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5ad01a1a319fe7f2a4518ba4167e5903
https://doi.org/10.1016/0925-8388(92)90390-u
https://doi.org/10.1016/0925-8388(92)90390-u