Zobrazeno 1 - 10
of 129
pro vyhledávání: '"Andrew E. DePristo"'
Publikováno v:
Surface Science. 393:72-84
Molecular dynamics (MD) simulations permit multiple-layer thin film growth to be studied in detail, using reliable interatomic potentials for fcc metals from corrected effective medium theory. Results are presented for the homoepitaxial deposition of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2b248bc43b8142ed0f85598070161a5c
https://doi.org/10.1016/s0039-6028(97)00560-8
https://doi.org/10.1016/s0039-6028(97)00560-8
Publikováno v:
Journal of Catalysis. 167:408-411
We have investigated the effect of hydrogen chemisorption on the surface composition of bimetallic RhPt catalytic clusters using the bond order metal simulation model. The differences in adsorption energies of hydrogen on Rh and on Pt for one monolay
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d2b5db1a3b855ff10b0be7e0e2964074
https://doi.org/10.1006/jcat.1997.1587
https://doi.org/10.1006/jcat.1997.1587
Autor:
Andrew E. DePristo, Ling Zhu
Publikováno v:
Journal of Catalysis. 167:400-407
Experimental bulk mixing data on disordered bimetallics of Ni, Cu, Rh, Pd, Ag, Ir, Pt, and Au are used to parametrize the recently developed \underline{b}ond \underline{o}rder metal \underline{s}imulator (BOS-mixing) model, including a full error ana
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cbebd421413050f5f65fcf6e86b7683c
https://doi.org/10.1006/jcat.1997.1586
https://doi.org/10.1006/jcat.1997.1586
Publikováno v:
Journal of Catalysis. 167:412-416
We report on studies of the structure of bimetallic Pd0.5Cu0.5clusters, using X-ray diffraction and computer simulations. The latter combine a lattice-type bond order metal simulation model with non-self-consistent electron density functional MD/MC-C
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::256c310a8f5ee1989071bbf299f25afb
https://doi.org/10.1006/jcat.1997.1588
https://doi.org/10.1006/jcat.1997.1588
Autor:
Thiele L. Wetzel, Andrew E. DePristo
Publikováno v:
The Journal of Chemical Physics. 105:572-580
We predict stable geometrical structures and interaction energies of Ni clusters using non self‐consistent electron density functional based corrected effective medium (CEM) and MD/MC‐CEM methods. A plot of the reaction energies for the atomic ej
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::29a4ea14230481582dee104f0c90d94b
https://doi.org/10.1063/1.471910
https://doi.org/10.1063/1.471910
Autor:
Yinggang Li, Andrew E. DePristo
Publikováno v:
Surface Science. 351:189-199
In an attempt to understand homoepitaxial growth on fcc (111) surfaces, the potential energy barriers for both inter- and intralayer diffusion are calculated for Ag, Au, Cu, Ni, Pd and Pt using a corrected effective medium theory in its simplest form
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d6b7f9c0daa991bdda889629e8eb084c
https://doi.org/10.1016/0039-6028(96)80063-x
https://doi.org/10.1016/0039-6028(96)80063-x
Publikováno v:
Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films. 14:1633-1636
Two features are observed to be important in the homoepitaxial deposition of 50 monolayers on Pd(100) and Cu(100) at 80 K. First, a fourfold hollow site that is missing one or more of its four supporting atoms on the surface (i.e., an overhang site)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::21b5cf486d390a515503500854a0d7a6
https://doi.org/10.1116/1.580309
https://doi.org/10.1116/1.580309
Autor:
Ling Zhu, Andrew E. DePristo
Publikováno v:
The Journal of Chemical Physics. 102:5342-5349
The variation of metal–metal bond strength or atomic site energy with number and type of atomic neighbors is described within a generalization of the bond order simulation (BOS) model, named the BOS‐mixing model. The site energy for fixed coordin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5c604ed95b35d0f5985499a978488920
https://doi.org/10.1063/1.469261
https://doi.org/10.1063/1.469261
Autor:
Leslie S. Perkins, Andrew E. DePristo
Publikováno v:
Surface Science. 325:169-176
We present the variation of the activation barriers with the number of movable substrate atoms for the self-migration of adatoms on fcc (001) surfaces. Two mechanisms considered in this paper are: (1) hopping of the adatom from one four-fold hollow s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d51a4ab95b453eb0f995c654c94c0e09
https://doi.org/10.1016/0039-6028(94)00719-5
https://doi.org/10.1016/0039-6028(94)00719-5
Autor:
Leslie S. Perkins, Andrew E. DePristo
Publikováno v:
Surface Science. 319:225-231
We present activation barriers and prefactors for the migration of heterogeneous adatoms on fcc(100) surfaces. Two mechanisms are considered in this paper: (1) hopping of the adatom from one four-fold hollow site to an adjacent four-fold hollow site
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4d3ecbad9c5f9ffef6c108a7f65aab96
https://doi.org/10.1016/0039-6028(94)90589-4
https://doi.org/10.1016/0039-6028(94)90589-4