Electronic and magnetic properties of 3d transition-metal atom adsorbed vacancy-defected arsenene: A first-principles study

2019 ◽  
Vol 491 ◽  
pp. 165613 ◽  
Author(s):  
Qingxiao Zhou ◽  
Weiwei Ju ◽  
Yongliang Yong ◽  
Xiaohong Li
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Metal Atom ◽  
First Principles ◽  
Transition Metal Atom ◽  
Electronic And Magnetic Properties ◽  
First Principles Study

Adsorption of 3d transition-metal atom on InSe monolayer: A first-principles study

2018 ◽  
Vol 150 ◽  
pp. 33-41 ◽  
Author(s):  
Weiwei Ju ◽  
Tongwei Li ◽  
Qingxiao Zhou ◽  
Haisheng Li ◽  
Xiaohong Li ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Atom ◽  
First Principles ◽  
Transition Metal Atom ◽  
First Principles Study

Electrocatalytic Performance of Mn-adsorbed g-C3N4: A First-Principles Study

2021 ◽  
Author(s):  
Liu Guo ◽  
Rui Li ◽  
Jiawei Jiang ◽  
Ji-Jun Zou ◽  
Wenbo Mi
Keyword(s):  
Transition Metal ◽  
Oxygen Evolution ◽  
Active Center ◽  
Metal Atom ◽  
First Principles ◽  
Oxygen Evolution Reaction ◽  
Single Atom ◽  
Transition Metal Atom ◽  
First Principles Study ◽  
Magnetic Elements

Single-atom catalysts with magnetic elements as the active center have been widely exploited for efficient oxygen evolution reaction (OER) electrocatalyst. Here, different contents of transition metal atom Mn adsorbed on...

Electronic and magnetic properties of 4d series transition metal substituted graphene: A first-principles study

Carbon ◽  
2017 ◽  
Vol 120 ◽  
pp. 265-273 ◽  
Author(s):  
Minglei Sun ◽  
Qingqiang Ren ◽  
Yiming Zhao ◽  
Jyh-Pin Chou ◽  
Jin Yu ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
First Principles ◽  
Electronic And Magnetic Properties ◽  
First Principles Study
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