Vibrational dynamics of a stepped metallic surface: Step‐edge phonons and terrace softening on Ni(977)

1995 ◽  
Vol 102 (22) ◽  
pp. 9077-9089 ◽  
Author(s):  
L. Niu ◽  
D. D. Koleske ◽  
D. J. Gaspar ◽  
S. J. Sibener
2005 ◽  
Vol 290-291 ◽  
pp. 257-260 ◽  
Author(s):  
Alexander B. Shick ◽  
Frantis˘ek Máca ◽  
Peter M. Oppeneer

2012 ◽  
Vol 19 (01) ◽  
pp. 1250007
Author(s):  
R. CHADLI ◽  
A. KHATER ◽  
R. TIGRINE

The vibrational properties of the three ordered metallic surface alloys, Cu(100) -c(2 × 2)- Pd , Cu(100)-(2 × 1)-Pd , and Cu(100)-(2 × 2)-Pd , are presented. The phonon dispersions of vibrational modes as well as the local density of phonon states (LDOS) are calculated using matching theory associated with Green's function formalism. The calculated results are discussed and interpreted. In particular, the transfer of charge between the Pd and Cu atoms in the surface alloys modifies the surface boundary force constants, with resultant remarkable differences for the vibrational LDOS on the Pd and Cu atomic sites at the Pd/Cu(100) surface, compared to the LDOS at the pure Cu(100) surface. This may favor new Pd -catalyzed reactions at such surface alloys systems.


2004 ◽  
Vol 69 (21) ◽  
Author(s):  
Alexander B. Shick ◽  
František Máca ◽  
Peter M. Oppeneer
Keyword(s):  

2008 ◽  
Vol 602 (13) ◽  
pp. 2284-2294 ◽  
Author(s):  
Yong Han ◽  
Guang-Hong Lu ◽  
Byeong-Joo Lee ◽  
Feng Liu

1996 ◽  
Vol 356 (1-3) ◽  
pp. 144-160 ◽  
Author(s):  
L. Niu ◽  
D.D. Koleske ◽  
D.J. Gaspar ◽  
S.F. King ◽  
S.J. Sibener

AIP Advances ◽  
2021 ◽  
Vol 11 (9) ◽  
pp. 095014
Author(s):  
Yue-Ying Niu ◽  
Chen-Rui Wang ◽  
Qian-Qian Yuan ◽  
Cheng-Long Xue ◽  
Li-Guo Dou ◽  
...  
Keyword(s):  

2003 ◽  
Vol 251 (1-4) ◽  
pp. 62-67 ◽  
Author(s):  
Masahiro Yoshita ◽  
Ji-Won Oh ◽  
Hidefumi Akiyama ◽  
Loren N. Pfeiffer ◽  
Ken W. West
Keyword(s):  

2012 ◽  
Vol 717-720 ◽  
pp. 581-584 ◽  
Author(s):  
Kouji Inagaki ◽  
Bui Van Pho ◽  
Kazuto Yamauchi ◽  
Yoshitada Morikawa

It has been reported that SiC surface can be etched off in a concentrated aqueous solution of hydrogen fluoride with making contacts with Pt plate catalyst, named Catalyst-referred Etching (CARE) [1]. In this report, we present first-principles molecular-dynamic simulations on the initial stage of the etching process. Reaction barrier heights of dissociative absorption reactions of hydrogen fluoride molecule breaking into back-bonds at step edge of 3C-SiC(111) are analyzed.


2012 ◽  
Vol 57 (2) ◽  
pp. 20701
Author(s):  
D. Zerirgui ◽  
R. Tigrine ◽  
B. Bourahla ◽  
A. Khater

Author(s):  
M. Yoshita ◽  
Ji-Won Oh ◽  
H. Akiyamat ◽  
L. Pfeiffer ◽  
K.W. Westt
Keyword(s):  

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