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Title: The quantum mechanics derived atomistic mechanism underlying the acceleration of catalytic CO oxidation on Pt(110) by surface acoustic waves

Journal Article · · Journal of Materials Chemistry. A
DOI:https://doi.org/10.1039/c6ta03669d· OSTI ID:1437589
 [1];  [1];  [1];  [2];  [2];  [2];  [3];  [1]
  1. California Inst. of Technology (CalTech), Pasadena, CA (United States)
  2. CNR-ICCOM and IPCF, Pisa (Italy)
  3. California Inst. of Technology (CalTech), Pasadena, CA (United States); CNR-ICCOM and IPCF, Pisa (Italy)

Quantum mechanics simulations unveil the mechanism of surface acoustic waves (SAW) enhancement of CO oxidation on Pt(110) via shock spikes.

Research Organization:
California Institute of Technology (CalTech), Pasadena, CA (United States)
Sponsoring Organization:
USDOE Advanced Research Projects Agency - Energy (ARPA-E)
Grant/Contract Number:
AR0000552
OSTI ID:
1437589
Journal Information:
Journal of Materials Chemistry. A, Vol. 4, Issue 31; ISSN 2050-7488
Publisher:
Royal Society of ChemistryCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 6 works
Citation information provided by
Web of Science

References (35)

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Generalized Gradient Approximation Made Simple journal October 1996
He diffraction studies of Pt(110) (1 × 2) journal March 1983
The effect of strain on the adsorption of CO on Pd(100) journal July 2000
Projector augmented-wave method journal December 1994
Influence of acoustic wave excitation on CO oxidation over a Pt{110} single crystal journal January 1997
Mechanism of the CO-induced 1×2→1×1 structural transformation of Pt(110) journal September 1989
Effect of surface acoustic waves on the catalytic decomposition of ethanol employing a comb transducer for ultrasonic generation journal April 2006
Oscillatory Kinetics in Heterogeneous Catalysis journal May 1995
Role of Surface Elastic Relaxations in an O-Induced Nanopattern on Pt ( 110 ) ( 1 × 2 ) journal March 2007
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Microcalorimetric Heats of Adsorption for CO, NO, and Oxygen on Pt{110} journal January 1996
Oxygen adsorption on Pt(110)-(1 × 2) and Pt(110)-(1 × 1) journal February 1986
Chemisorbed Molecules under Potential Bias: Detailed Insights from First-Principles Vibrational Spectroscopies journal March 2014
ReaxFF:  A Reactive Force Field for Hydrocarbons journal October 2001
Dynamic Stark Control of Photochemical Processes journal October 2006
Dynamics and kinetics of oxygen dissociative adsorption on Pt{110}(1×2) journal October 1998
Different Reactivity of the Various Platinum Oxides and Chemisorbed Oxygen in CO Oxidation on Pt(111) journal April 2014
A vibrational spectroscopic investigation of the CO+O2 reaction on Pt{110} journal July 2002
Reconstruction of Clean and Oxygen-Covered Pt(110) Surfaces journal May 2013
Present status and future trends in catalysis for refining and petrochemicals journal May 2003
Redox processes at a nanostructured interface under strong electric fields journal January 2014
Molecular Dynamics Simulations of the Interactions between Platinum Clusters and Carbon Platelets journal February 2008
A climbing image nudged elastic band method for finding saddle points and minimum energy paths journal December 2000
(111) facets as the origin of reconstructed Au(110) surfaces journal August 1983
Elucidation of the dynamics for hot-spot initiation at nonuniform interfaces of highly shocked materials journal December 2011
Nitrogen Cycles: Past, Present, and Future journal September 2004
Effects of acoustic waves-induced dynamic lattice distortion on catalytic and adsorptive properties of metal, alloy and metal oxide surfaces journal August 2007
Analysis of gas-surface reactions by surface temperature modulation: Experimental applications to the adsorption and oxidation of carbon monoxide on the Pt(110)-(1 × 2) surface journal January 1988
Low and high coverage determinations of the rate of carbon monoxide adsorption and desorption from Pt(110) journal October 1980
A photoemission electron microscopy (PEEM) study of the effect of surface acoustic waves on catalytic CO oxidation over Pt{110} journal September 1998
CO Oxidation by Subnanometer Ag x Au 3– x Supported Clusters via Density Functional Theory Simulations journal July 2012
Surface morphological changes induced in catalysts by acoustic waves journal August 1999
Classical Stochastic Diffusion Theory for Desorption of Atoms and Molecules from Solid Surfaces journal December 1982
Structure and activity of oxidized Pt(110) and α-PtO2 journal January 2006

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