Carbon monoxide adsorption on a nickel iron surface: bonding and electronic structure computational study

2012 ◽  
Vol 110 (2) ◽  
pp. 113-120 ◽  
Author(s):  
G. Canto ◽  
L. Dzib ◽  
C. Lanz ◽  
A. Juan ◽  
G. Brizuela ◽  
...  
Keyword(s):  
Carbon Monoxide ◽  
Electronic Structure ◽  
Computational Study ◽  
Iron Surface ◽  
Carbon Monoxide Adsorption ◽  
Nickel Iron ◽  
Surface Bonding

Relation Between Local Structure, Electric Dipole and Charge Carrier Dynamics in DHICA Melanin, a Model for Biocompatible Semiconductors

2019 ◽  
Author(s):  
Micaela Matta ◽  
Alessandro Pezzella ◽  
Alessandro Troisi
Keyword(s):  
Electronic Structure ◽  
Degrees Of Freedom ◽  
Structural Model ◽  
Computational Study ◽  
Oxidative Polymerization ◽  
Radical Scavenging ◽  
Charge Carriers ◽  
Electronic Charge ◽  
Polymer Semiconductors ◽  
Synthetic Pigments

<div><div><div><p>Eumelanins are a family of natural and synthetic pigments obtained by oxidative polymerization of their natural precursors: 5,6 dihydroxyindole and its 2-carboxy derivative (DHICA). The simultaneous presence of ionic and electronic charge carriers makes these pigments promising materials for applications in bioelectronics. In this computational study we build a structural model of DHICA melanin considering the interplay between its many degrees of freedom, then we examine the electronic structure of representative oligomers. We find that a non-vanishing dipole along the polymer chain sets this system apart from conventional polymer semiconductors, determining its electronic structure, reactivity toward oxidation and localization of the charge carriers. Our work sheds light on previously unnoticed features of DHICA melanin that not only fit well with its radical scavenging and photoprotective properties, but open new perspectives towards understanding and tuning charge transport in this class of materials.<br></p></div></div></div>

scholarly journals Carbon monoxide adsorption on platinum-osmium and platinum-ruthenium-osmium mixed nanoparticles

2013 ◽  
Vol 138 (17) ◽  
pp. 174704 ◽  
Author(s):  
Nicholas Dimakis ◽  
Nestor E. Navarro ◽  
Eugene S. Smotkin
Keyword(s):  
Carbon Monoxide ◽  
Carbon Monoxide Adsorption ◽  
Mixed Nanoparticles

Kinetics of carbon monoxide adsorption on Re(0001) between 100 and 300 K

1983 ◽  
Vol 126 (1-3) ◽  
pp. 422-428 ◽  
Author(s):  
S. Tatarenko ◽  
R. Ducros ◽  
M. Alnot
Keyword(s):  
Carbon Monoxide ◽  
Carbon Monoxide Adsorption ◽  
Kinetics Of
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