Infrared Spectra and Density Functional Theory Calculations of Group 10 Transition Metal Sulfide Molecules and Complexes

2009 ◽  
Vol 113 (14) ◽  
pp. 3336-3343 ◽  
Author(s):  
Binyong Liang ◽  
Xuefeng Wang ◽  
Lester Andrews
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Infrared Spectra ◽  
Density Functional ◽  
Metal Sulfide ◽  
Density Functional Theory Calculations ◽  
Functional Theory ◽  
Transition Metal Sulfide ◽  
Group 10

scholarly journals Detection of adsorbed transition-metal porphyrins by spin-dependent conductance of graphene nanoribbon

RSC Advances ◽  
2017 ◽  
Vol 7 (46) ◽  
pp. 29112-29121 ◽  
Author(s):  
Peter Kratzer ◽  
Sherif Abdulkader Tawfik ◽  
Xiang Yuan Cui ◽  
Catherine Stampfl
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Electronic Transport ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Graphene Nanoribbon ◽  
Functional Theory ◽  
Metal Porphyrins

Electronic transport in a zig-zag-edge graphene nanoribbon (GNR) and its modification by adsorbed transition metal porphyrins is studied by means of density functional theory calculations.

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