First-Principles Study of Na Intercalation and Diffusion Mechanisms at 2D MoS2/Graphene Interfaces

Arianna Massaro; Adriana Pecoraro; Ana B. Muñoz-García; Michele Pavone

doi:10.1021/acs.jpcc.0c10107

First-Principles Study of Na Intercalation and Diffusion Mechanisms at 2D MoS2/Graphene Interfaces

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c10107 ◽

2021 ◽

Vol 125 (4) ◽

pp. 2276-2286

Author(s):

Arianna Massaro ◽

Adriana Pecoraro ◽

Ana B. Muñoz-García ◽

Michele Pavone

Keyword(s):

First Principles ◽

First Principles Study ◽

Diffusion Mechanisms ◽

And Diffusion

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First-principles study of migration and diffusion mechanisms of helium in α-Be

AIP Advances ◽

10.1063/1.4944950 ◽

2016 ◽

Vol 6 (3) ◽

pp. 035018 ◽

Cited By ~ 1

Author(s):

Xiao-Yong Yang ◽

Yong Lu ◽

Meng-Lei Li ◽

Ping Zhang

Keyword(s):

First Principles ◽

First Principles Study ◽

Diffusion Mechanisms ◽

And Diffusion

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Materials Today Communications ◽

10.1016/j.mtcomm.2020.101461 ◽

2020 ◽

Vol 25 ◽

pp. 101461

Author(s):

J.I. Paez-Ornelas ◽

H.N. Fernández -Escamilla ◽

Noboru Takeuchi ◽

J. Guerrero- Sánchez

Keyword(s):

First Principles ◽

First Principles Study ◽

Diffusion Mechanisms ◽

And Diffusion

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Physical Review B ◽

10.1103/physrevb.73.174303 ◽

2006 ◽

Vol 73 (17) ◽

Cited By ~ 29

Author(s):

S. Dennler ◽

J. Hafner

Keyword(s):

First Principles ◽

Lattice Dynamics ◽

First Principles Study ◽

And Diffusion

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Formation and diffusion of intrinsic point defects in bulk and monolayer MoS 2 : first principles study

physica status solidi (b) ◽

10.1002/pssb.202100479 ◽

2021 ◽

Author(s):

Vasilii Gusakov ◽

Julia Gusakova ◽

Beng Kang Tay

Keyword(s):

Point Defects ◽

First Principles ◽

Intrinsic Point Defects ◽

First Principles Study ◽

And Diffusion

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Ionization and diffusion of metal atoms under electric field at metal/insulator interfaces; First-principles study

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2016.09.010 ◽

2017 ◽

Vol 70 ◽

pp. 78-82 ◽

Cited By ~ 2

Author(s):

Yoshihiro Asayama ◽

Masaaki Hiyama ◽

Takashi Nakayama

Keyword(s):

Electric Field ◽

First Principles ◽

Metal Insulator ◽

First Principles Study ◽

Metal Atoms ◽

And Diffusion

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Adsorption and Diffusion of Lithium and Sodium on Defective Rhenium Disulfide: A First Principles Study

ACS Applied Materials & Interfaces ◽

10.1021/acsami.7b13604 ◽

2018 ◽

Vol 10 (6) ◽

pp. 5373-5384 ◽

Cited By ~ 47

Author(s):

Sankha Mukherjee ◽

Avinav Banwait ◽

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Nikhil Koratkar ◽

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Keyword(s):

First Principles ◽

First Principles Study ◽

And Diffusion

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First-principles study of Ni adatom migration on graphene with vacancies

RSC Advances ◽

10.1039/c9ra00999j ◽

2019 ◽

Vol 9 (33) ◽

pp. 18823-18834

Author(s):

E. E. Hernández-Vázquez ◽

F. Munoz ◽

S. López-Moreno ◽

J. L. Morán-López

Keyword(s):

First Principles ◽

First Principles Calculations ◽

P Adsorption ◽

First Principles Study ◽

And Diffusion

Adsorption and diffusion of Ni atom over graphene with a vacancy were studied using first-principles calculations.

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First-principles study of electronic and diffusion properties of intrinsic defects in 4H-SiC

Journal of Applied Physics ◽

10.1063/1.5140692 ◽

2020 ◽

Vol 127 (8) ◽

pp. 085702 ◽

Cited By ~ 4

Author(s):

Xiaolan Yan ◽

Pei Li ◽

Lei Kang ◽

Su-Huai Wei ◽

Bing Huang

Keyword(s):

First Principles ◽

Intrinsic Defects ◽

First Principles Study ◽

And Diffusion ◽

Diffusion Properties

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First principles study of alkali and alkaline earth metal ions adsorption and diffusion on penta-graphene

Solid State Ionics ◽

10.1016/j.ssi.2019.115062 ◽

2019 ◽

Vol 342 ◽

pp. 115062 ◽

Cited By ~ 4

Author(s):

Hewen Wang ◽

Wenwei Luo ◽

Zhengfang Tian ◽

Chuying Ouyang

Keyword(s):

Metal Ions ◽

First Principles ◽

Alkaline Earth ◽

Earth Metal ◽

Alkaline Earth Metal ◽

First Principles Study ◽

Alkaline Earth Metal Ions ◽

And Diffusion

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Influence of irradiation-induced point defects on the dissolution and diffusion properties of hydrogen in α-Al2O3: a first-principles study

Nuclear Fusion ◽

10.1088/1741-4326/abcf8c ◽

2020 ◽

Author(s):

Xin-Dong Pan ◽

Yu-Ping Xu ◽

Tao Lu ◽

Hai-Shan Zhou ◽

Xiaochun Li ◽

...

Keyword(s):

Point Defects ◽

First Principles ◽

First Principles Study ◽

Α Al2o3 ◽

And Diffusion ◽

Diffusion Properties

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