Water Dissociation on Clean and Potassium Preadsorbed Transition Metals: A Systematic Theoretical Study

2018 ◽  
Vol 122 (27) ◽  
pp. 15474-15484 ◽  
Author(s):  
Yan-Xin Wang ◽  
Gui-Chang Wang
Keyword(s):  
Transition Metals ◽  
Theoretical Study ◽  
Water Dissociation

Water dissociation on K2O-pre-adsorbed transition metals: a systematic theoretical study

2018 ◽  
Vol 20 (30) ◽  
pp. 19850-19859 ◽  
Author(s):  
Yan-Xin Wang ◽  
Gui-Chang Wang
Keyword(s):  
Transition Metals ◽  
Theoretical Study ◽  
Water Dissociation ◽  
Promotion Effect ◽  
Binding Strength

The K2O-induced promotion effect depends on the binding strength of K2O in which both O and K act as the promoter.

The First Row Transition Metals on Stabilization of Biliverdin Complexes: Theoretical Study

2021 ◽  
Vol 66 (4) ◽  
pp. 516-524
Author(s):  
A. Taghizadeh ◽  
Parisa Rajabali Jamaat ◽  
Maryam Daghighi Asli
Keyword(s):  
Transition Metals ◽  
Theoretical Study

Theoretical study of the interaction of ionized transition metals (Cr,Mn,Fe,Co,Ni,Cu) with argon

1990 ◽  
Vol 41 (15) ◽  
pp. 10447-10452 ◽  
Author(s):  
B. L. Hammond ◽  
W. A. Lester ◽  
M. Braga ◽  
C. A. Taft
Keyword(s):  
Transition Metals ◽  
Theoretical Study

Spin-polarized transport in hydrogen-passivated graphene and silicene nanoribbons with magnetic transition-metal substituents

2016 ◽  
Vol 18 (32) ◽  
pp. 22606-22616 ◽  
Author(s):  
A. García-Fuente ◽  
L. J. Gallego ◽  
A. Vega
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Electronic Transport ◽  
Theoretical Study ◽  
Magnetic Transition ◽  
Spin Polarized ◽  
Polarized Transport ◽  
Silicene Nanoribbons ◽  
Spin Polarized Transport

We present a systematic theoretical study of the electronic transport in hydrogen passivated zigzag graphene and silicene nanoribbons with between zero and four neighboring H atoms on one edge replaced by magnetic transition metals (Fe, Co, and Ni).

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