scholarly journals Relationships between Atomic Level Surface Structure and Stability/Activity of Platinum Surface Atoms in Aqueous Environments

ACS Catalysis ◽  
2016 ◽  
Vol 6 (4) ◽  
pp. 2536-2544 ◽  
Author(s):  
Pietro P. Lopes ◽  
Dusan Strmcnik ◽  
Dusan Tripkovic ◽  
Justin G. Connell ◽  
Vojislav Stamenkovic ◽  
...  
Keyword(s):  
Surface Structure ◽  
Atomic Level ◽  
Level Surface ◽  
Platinum Surface ◽  
Structure And Stability ◽  
Aqueous Environments

Surface Structure and Stability of MoSxModel Clusters

2005 ◽  
Vol 109 (39) ◽  
pp. 18491-18499 ◽  
Author(s):  
Xiao-Dong Wen ◽  
Tao Zeng ◽  
Yong-Wang Li ◽  
Jianguo Wang ◽  
Haijun Jiao
Keyword(s):  
Surface Structure ◽  
Structure And Stability

Active sites and states in the heterogeneous catalysis of carbon–hydrogen bonds

2005 ◽  
Vol 363 (1829) ◽  
pp. 879-900 ◽  
Author(s):  
Gabor A Somorjai ◽  
Anderson L Marsh
Keyword(s):  
Surface Structure ◽  
Active Sites ◽  
High Pressures ◽  
Bond Activation ◽  
Co Adsorption ◽  
Molecular Rearrangement ◽  
Platinum Surface ◽  
Bond Dissociation ◽  
Surface Mobility ◽  
Structure Sensitive

C–H bond activation for several alkenes (ethylene, propylene, isobutene, cyclohexene and 1-hexene) and alkanes (methane, ethane, n -hexane, 2-methylpentane and 3-methylpentane) has been studied on the (111) crystal face of platinum as a function of temperature at low (<10 −6  Torr) and high (≥1 Torr) pressures in the absence and presence of hydrogen pressures (≥10 Torr). Sum frequency generation (SFG) vibrational spectroscopy has been used to characterize the adsorbate structures and high pressure scanning tunnelling microscopy (HP-STM) has been used to monitor their surface mobility under reaction conditions during hydrogenation, dehydrogenation and CO poisoning. C–H bond dissociation occurs at low temperatures, approximately 250 K, for all of these molecules, although only at high pressures for the weakly bound alkanes because of their low desorption temperatures. Bond dissociation is known to be surface structure sensitive and we find that it is also accompanied by the restructuring of the metal surface. The presence of hydrogen slows down dehydrogenation and for some of the molecules it influences the molecular rearrangement, thus altering reaction selectivity. Surface mobility of adsorbates is essential to produce catalytic activity. When surface diffusion is inhibited by CO adsorption, ordered surface structures form and the reaction is poisoned. Ethylene hydrogenation is surface structure insensitive, while cyclohexene hydrogenation and dehydrogenation are structure sensitive. n -Hexane and other C 6 alkanes form either upright or flat-lying molecules on the platinum surface which react to produce branched isomers or benzene, respectively.

Prediction of protein retention times in hydrophobic interaction chromatography by robust statistical characterization of their atomic-level surface properties

2016 ◽  
Vol 32 (2) ◽  
pp. 372-381 ◽  
Author(s):  
Alexander T. Hanke ◽  
Marieke E. Klijn ◽  
Peter D. E. M. Verhaert ◽  
Luuk A. M. van der Wielen ◽  
Marcel Ottens ◽  
...  
Keyword(s):  
Surface Properties ◽  
Hydrophobic Interaction ◽  
Hydrophobic Interaction Chromatography ◽  
Atomic Level ◽  
Level Surface ◽  
Statistical Characterization ◽  
Protein Retention

Strong Impact of Platinum Surface Structure on Primary and Secondary Alcohol Oxidation during Electro-Oxidation of Glycerol

ACS Catalysis ◽  
2016 ◽  
Vol 6 (7) ◽  
pp. 4491-4500 ◽  
Author(s):  
Amanda C. Garcia ◽  
Manuel J. Kolb ◽  
Chris van Nierop y Sanchez ◽  
Jan Vos ◽  
Yuvraj Y. Birdja ◽  
...  
Keyword(s):  
Surface Structure ◽  
Secondary Alcohol ◽  
Alcohol Oxidation ◽  
Strong Impact ◽  
Platinum Surface ◽  
Electro Oxidation

First principles study on surface structure and stability of alloyed cementite doped with Cr

2013 ◽  
Vol 100 ◽  
pp. 170-172 ◽  
Author(s):  
Yang Gao ◽  
Zhiqing Lv ◽  
Shuhua Sun ◽  
Minggui Qu ◽  
Zhongping Shi ◽  
...  
Keyword(s):  
Surface Structure ◽  
First Principles ◽  
Structure And Stability ◽  
First Principles Study ◽  
Alloyed Cementite

Multimillion-Atom Simulations of Atomic-Level Surface Stresses and Pressure Distribution on InAs/GaAs Mesas

1999 ◽  
Vol 584 ◽  
Author(s):  
Xiaotao Su ◽  
Rajiv K. Kalia ◽  
Anupam Madhukar ◽  
Aiichiro Nakano ◽  
Priya Vashishta
Keyword(s):  
Molecular Dynamics ◽  
Chemical Composition ◽  
Pressure Distribution ◽  
Molecular Dynamics Simulations ◽  
Large Scale ◽  
Interatomic Potential ◽  
Atomic Level ◽  
Level Surface ◽  
Speed Up ◽  
Dynamics Simulations

AbstractLarge-scale molecular dynamics simulations are performed to investigate the atomiclevel stresses on InAs/GaAs mesas. The simulations are based on an interatomic-potential scheme for InAs/GaAs systems which depends on the local chemical composition. Multiresolution techniques are used to speed up the simulations. InAs/GaAs square mesas with { 101 }-type sidewalls are studied. The atomic-level pressure distribution and surface atomic stresses on the sidewalls with 12, 10, 8 and 6 monolayers of InAs overlayers have been calculated.

scholarly journals X-ray reflectivity studies of atomic-level surface-segregation in a liquid eutectic alloy of AuSn

2007 ◽  
Vol 75 (10) ◽  
Author(s):  
Venkatachalapathy S. K. Balagurusamy ◽  
Reinhard Streitel ◽  
Oleg G. Shpyrko ◽  
P. S. Pershan ◽  
Mati Meron ◽  
...  
Keyword(s):  
Eutectic Alloy ◽  
Surface Segregation ◽  
Atomic Level ◽  
Level Surface ◽  
X Ray
Sign in / Sign up

Export Citation Format

Share Document