Excitonic mechanism of the photoinduced surface restructuring of copper

2009 ◽  
Vol 95 (8) ◽  
pp. 084103 ◽  
Author(s):  
Michel Molotskii
Keyword(s):  
Surface Restructuring ◽  
Excitonic Mechanism

Evolution of Metastable Structures in Bimetallic Catalysts from Microscopy and Machine-Learning Molecular Dynamics

2020 ◽  
Author(s):  
Jin Soo Lim ◽  
Jonathan Vandermause ◽  
Matthijs A. van Spronsen ◽  
Albert Musaelian ◽  
Christopher R. O’Connor ◽  
...  
Keyword(s):  
Machine Learning ◽  
Molecular Dynamics ◽  
Large Scale ◽  
Materials Science ◽  
Complete Characterization ◽  
Layer By Layer ◽  
Surface Restructuring ◽  
Metastable Structures ◽  
Mechanistic Investigation ◽  
Underlying Mechanisms

Restructuring of interface plays a crucial role in materials science and heterogeneous catalysis. Bimetallic systems, in particular, often adopt very different composition and morphology at surfaces compared to the bulk. For the first time, we reveal a detailed atomistic picture of the long-timescale restructuring of Pd deposited on Ag, using microscopy, spectroscopy, and novel simulation methods. Encapsulation of Pd by Ag always precedes layer-by-layer dissolution of Pd, resulting in significant Ag migration out of the surface and extensive vacancy pits. These metastable structures are of vital catalytic importance, as Ag-encapsulated Pd remains much more accessible to reactants than bulk-dissolved Pd. The underlying mechanisms are uncovered by performing fast and large-scale machine-learning molecular dynamics, followed by our newly developed method for complete characterization of atomic surface restructuring events. Our approach is broadly applicable to other multimetallic systems of interest and enables the previously impractical mechanistic investigation of restructuring dynamics.

The surface restructuring of copper oxides with mixed oxidation-states and their efficient CO oxidation properties

2021 ◽  
Vol 289 ◽  
pp. 129378
Author(s):  
Wei Liu ◽  
Baoqin Wang ◽  
Chenchen Cui ◽  
Yiwen Zhang ◽  
Lixuan Wang ◽  
...  
Keyword(s):  
Co Oxidation ◽  
Copper Oxides ◽  
Oxidation States ◽  
Surface Restructuring ◽  
Mixed Oxidation ◽  
Oxidation Properties

scholarly journals Evolution of Metastable Structures at Bimetallic Surfaces from Microscopy and Machine-Learning Molecular Dynamics

2020 ◽  
Author(s):  
Jin Soo Lim ◽  
Jonathan Vandermause ◽  
Matthijs A. van Spronsen ◽  
Albert Musaelian ◽  
Yu Xie ◽  
...  
Keyword(s):  
Machine Learning ◽  
Molecular Dynamics ◽  
Materials Science ◽  
Automated Analysis ◽  
Layer By Layer ◽  
Surface Restructuring ◽  
Bimetallic Systems ◽  
Metastable Structures ◽  
Mechanistic Investigation ◽  
First Time

Restructuring of interfaces plays a crucial role in materials science and heterogeneous catalysis. Bimetallic systems, in particular, often adopt very different composition and morphology at surfaces compared to the bulk. For the first time, we reveal a detailed atomistic picture of long-timescale restructuring of Pd deposited on Ag, using microscopy, spectroscopy, and novel simulation methods. By developing and performing accelerated machine-learning molecular dynamics followed by an automated analysis method, we discover and characterize previously unidentified surface restructuring mechanisms in an unbiased fashion, including Pd-Ag place exchange and Ag pop-out, as well as step ascent and descent. Remarkably, layer-by-layer dissolution of Pd into Ag is always preceded by an encapsulation of Pd islands by Ag, resulting in a significant migration of Ag out of the surface and a formation of extensive vacancy pits within a period of microseconds. These metastable structures are of vital catalytic importance, as Ag-encapsulated Pd remains much more accessible to reactants than bulk-dissolved Pd. Our approach is broadly applicable to complex multimetallic systems and enables the previously intractable mechanistic investigation of restructuring dynamics at atomic resolution.

Lander on Cu(2 1 1) – selective adsorption and surface restructuring by a molecular wire

2003 ◽  
Vol 371 (5-6) ◽  
pp. 750-756 ◽  
Author(s):  
Leo Gross ◽  
Francesca Moresco ◽  
Micol Alemani ◽  
Hao Tang ◽  
André Gourdon ◽  
...  
Keyword(s):  
Selective Adsorption ◽  
Molecular Wire ◽  
Surface Restructuring

scholarly journals A novel excitonic mechanism for high temperature superconductivity

1989 ◽  
Vol 29 (2-3) ◽  
pp. 627-634 ◽  
Author(s):  
Z. Tesanovic ◽  
A.R. Bishop ◽  
R.L. Martin
Keyword(s):  
High Temperature ◽  
High Temperature Superconductivity ◽  
Excitonic Mechanism
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