Electronic and Geometric Effects on Chemical Reactivity of 3d-Transition-Metal-Doped Silver Cluster Cations toward Oxygen Molecules

2019 ◽  
Vol 123 (42) ◽  
pp. 25890-25897 ◽  
Author(s):  
Shun Sarugaku ◽  
Masashi Arakawa ◽  
Tomoki Kawano ◽  
Akira Terasaki
Keyword(s):  
Transition Metal ◽  
Chemical Reactivity ◽  
Silver Cluster ◽  
Metal Doped ◽  
Geometric Effects

Reaction of nitric oxide molecules on transition-metal-doped silver cluster cations: Size- and dopant-dependent reaction pathways

2021 ◽  
Author(s):  
Masashi Arakawa ◽  
Masataka Horioka ◽  
Kento Minamikawa ◽  
Tomoki Kawano ◽  
Akira Terasaki
Keyword(s):  
Nitric Oxide ◽  
Transition Metal ◽  
Gas Phase ◽  
Silver Cluster ◽  
Reaction Pathways ◽  
Metal Doped ◽  
Ni Clusters

We report size- and dopant-dependent reaction pathways as well as reactivity of gas-phase free AgnM+ (M = Sc–Ni) clusters interacting with NO. Reactivity of AgnM+, except for M = Cr...

Superatomic properties of transition-metal-doped tetrahexahedral lithium clusters: TM@Li14

2019 ◽  
Vol 118 (2) ◽  
pp. e1592256 ◽  
Author(s):  
Lijuan Yan ◽  
Jun Liu ◽  
Jianmei Shao
Keyword(s):  
Transition Metal ◽  
Metal Doped ◽  
Lithium Clusters

Correlative experimental and theoretical characterization of transition metal doped hydroxyapatite nanoparticles fabricated by hydrothermal method

2021 ◽  
Vol 173 ◽  
pp. 110911
Author(s):  
Anastasia V. Sadetskaya ◽  
Natalia P. Bobrysheva ◽  
Mikhail G. Osmolowsky ◽  
Olga M. Osmolovskaya ◽  
Mikhail A. Voznesenskiy
Keyword(s):  
Transition Metal ◽  
Hydrothermal Method ◽  
Hydroxyapatite Nanoparticles ◽  
Theoretical Characterization ◽  
Metal Doped

scholarly journals Argon tagging of doubly transition metal doped aluminum clusters: The importance of electronic shielding

2021 ◽  
Vol 154 (5) ◽  
pp. 054312
Author(s):  
Jan Vanbuel ◽  
Piero Ferrari ◽  
Meiye Jia ◽  
André Fielicke ◽  
Ewald Janssens
Keyword(s):  
Transition Metal ◽  
Aluminum Clusters ◽  
Metal Doped

Density functional theory studies of transition metal doped Ti3N2 MXene monolayer

2021 ◽  
Vol 197 ◽  
pp. 110613
Author(s):  
Ijeoma Cynthia Onyia ◽  
Stella Ogochukwu Ezeonu ◽  
Dmitri Bessarabov ◽  
Kingsley Onyebuchi Obodo
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Density Functional ◽  
Functional Theory ◽  
Metal Doped

Electronic structure modulation of NiS2 by transition metal doping for accelerating the hydrogen evolution reaction

2019 ◽  
Vol 7 (9) ◽  
pp. 4971-4976 ◽  
Author(s):  
Tongtong Wang ◽  
Xiaosong Guo ◽  
Jingyan Zhang ◽  
Wen Xiao ◽  
Pinxian Xi ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Catalytic Activity ◽  
Transition Metal ◽  
Hydrogen Evolution Reaction ◽  
Systematic Study ◽  
First Principles ◽  
Transition Metal Doping ◽  
First Principles Calculations ◽  
Structure Modulation ◽  
Metal Doped

We give a systematic study of the HER catalytic activity of transition metal doped NiS2 by first principles calculations and experiments.

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